| QHL | Name: | delta-[Ru(tap2-dppz-CN)]2+ | Formula: | C39 H21 N13 Ru | SMILES: | N#Cc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9ccnc%10ccc%11ncc[n+]7c%11c9%10)[n+]%12ccnc%13ccc%14ncc[n+]8c%14c%12%13)c3nc2c1 | InChi: | InChI=1S/C19H9N5.2C10H6N4.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16 | Synonyms: | Cyano-derivative of Ruthenium-dipyridophenazine | Definition date: | 2016-11-24 | Last modified: | 2024-01-03 | Release date: | 2018-01-17 |
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| X6Q | Name: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid | Formula: | C24 H21 N O7 | SMILES: | O=C(O)c1cc(cc(OCC(=O)NC)c1)c1cc(OCc2ccccc2)c(cc1)C(=O)O | InChi: | InChI=1S/C24H21NO7/c1-25-22(26)14-31-19-10-17(9-18(11-19)23(27)28)16-7-8-20(24(29)30)21(12-16)32-13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,25,26)(H,27,28)(H,29,30) | Definition date: | 2023-06-02 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid |
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| WAB | Name: | (3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine | Formula: | C21 H24 Cl N7 O S | SMILES: | Nc1nccc(Sc2ccc3nc(cnc3n2)N2CCC3(CC2)COC(C)C3N)c1Cl | InChi: | InChI=1S/C21H24ClN7OS/c1-12-18(23)21(11-30-12)5-8-29(9-6-21)15-10-26-20-13(27-15)2-3-16(28-20)31-14-4-7-25-19(24)17(14)22/h2-4,7,10,12,18H,5-6,8-9,11,23H2,1H3,(H2,24,25)/t12-,18+/m0/s1 | Definition date: | 2023-09-28 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | (3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine |
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| U7D | Name: | 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea | Formula: | C14 H12 F3 N3 S | SMILES: | Cc1ccnc(NC(=S)Nc2cccc(c2)C(F)(F)F)c1 | InChi: | InChI=1S/C14H12F3N3S/c1-9-5-6-18-12(7-9)20-13(21)19-11-4-2-3-10(8-11)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21) | Synonyms: | CHEMBL2134995 | Definition date: | 2023-09-07 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea |
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| Y75 | Name: | (7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione | Formula: | C41 H49 Cl N10 O3 S | SMILES: | Nc1ccc(cn1)c1ccc(Cl)c2Sc3ncccc3CNC(CCCN)C(=O)NC(CCCCN)C(=O)N(C)C(Cc3c[NH]c4ccccc43)C(=O)NCc12 | InChi: | InChI=1S/C41H49ClN10O3S/c1-52-35(20-27-23-47-32-10-3-2-9-29(27)32)39(54)50-24-30-28(25-13-16-36(45)49-21-25)14-15-31(42)37(30)56-40-26(8-7-19-46-40)22-48-33(12-6-18-44)38(53)51-34(41(52)55)11-4-5-17-43/h2-3,7-10,13-16,19,21,23,33-35,47-48H,4-6,11-12,17-18,20,22,24,43-44H2,1H3,(H2,45,49)(H,50,54)(H,51,53)/t33-,34-,35-/m0/s1 | Definition date: | 2023-01-09 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | (7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione |
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| ZWS | Name: | [(5P)-5-{3-[(2R)-butan-2-yl]-7-[(2-methoxyethoxy)carbonyl]-2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1(2H)-yl}-2-oxopyridin-1(2H)-yl]acetic acid | Formula: | C23 H29 N3 O7 | SMILES: | O=C(O)CN1C=C(C=CC1=O)N1C(=O)C(=CC=2CCN(CC1=2)C(=O)OCCOC)C(C)CC | InChi: | InChI=1S/C23H29N3O7/c1-4-15(2)18-11-16-7-8-24(23(31)33-10-9-32-3)13-19(16)26(22(18)30)17-5-6-20(27)25(12-17)14-21(28)29/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H,28,29)/t15-/m1/s1 | Definition date: | 2023-04-13 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | [(5P)-5-{3-[(2R)-butan-2-yl]-7-[(2-methoxyethoxy)carbonyl]-2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1(2H)-yl}-2-oxopyridin-1(2H)-yl]acetic acid |
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| WIP | Name: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid | Formula: | C21 H16 O6 | SMILES: | O=C(O)c1cc(cc(O)c1)c1cc(OCc2ccccc2)c(cc1)C(=O)O | InChi: | InChI=1S/C21H16O6/c22-17-9-15(8-16(10-17)20(23)24)14-6-7-18(21(25)26)19(11-14)27-12-13-4-2-1-3-5-13/h1-11,22H,12H2,(H,23,24)(H,25,26) | Definition date: | 2023-05-14 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid |
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| YUT | Name: | {difluoro[(R)-hydroxy{[(1s,2R,3S,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphoryl]methyl}phosphonic acid | Formula: | C7 H19 F2 O26 P7 | SMILES: | OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)C(F)(F)P(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O | InChi: | InChI=1S/C7H19F2O26P7/c8-7(9,36(10,11)12)37(13,14)30-1-2(31-38(15,16)17)4(33-40(21,22)23)6(35-42(27,28)29)5(34-41(24,25)26)3(1)32-39(18,19)20/h1-6H,(H,13,14)(H2,10,11,12)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)/t1-,2-,3+,4+,5-,6+ | Definition date: | 2023-02-22 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | {difluoro[(R)-hydroxy{[(1s,2R,3S,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphoryl]methyl}phosphonic acid |
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| WJR | Name: | (2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxyundecanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid | Formula: | C114 H199 N3 O54 P2 | SMILES: | CCCCCCCCCCCC(=O)O[CH](CCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCC)OC(=O)C[CH](O)CCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](CCCCCCCC)OC(=O)CCCCCC)[CH](OC(=O)C[CH](O)CCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O[C]5(C[CH](O[CH]6O[CH]([CH](O)[CH](O)[CH]6NC(C)=O)C(O)=O)[CH](O)[CH](O5)[CH](O)CO)C(O)=O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C114H199N3O54P2/c1-9-16-23-29-32-33-35-40-47-54-85(131)157-73(52-45-39-34-30-24-17-10-2)59-88(134)163-103-91(117-83(129)58-72(51-43-37-27-20-13-5)158-86(132)55-70(123)49-42-36-26-19-12-4)106(154-66-80-94(137)102(162-87(133)56-69(122)48-41-22-15-7)90(108(160-80)171-173(151,152)153)116-82(128)57-71(50-44-38-31-25-18-11-3)156-84(130)53-46-28-21-14-6)161-81(101(103)170-172(148,149)150)67-155-112(109(142)143)62-79(165-113(110(144)145)60-74(124)92(135)97(166-113)75(125)63-118)100(99(168-112)77(127)65-120)169-114(111(146)147)61-78(93(136)98(167-114)76(126)64-119)159-107-89(115-68(8)121)95(138)96(139)104(164-107)105(140)141/h69-81,89-104,106-108,118-120,122-127,135-139H,9-67H2,1-8H3,(H,115,121)(H,116,128)(H,117,129)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H2,148,149,150)(H2,151,152,153)/t69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81-,89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104+,106-,107-,108-,112-,113-,114+/m1/s1 | Definition date: | 2023-10-05 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | (2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxyundecanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid |
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| WJW | Name: | (2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxynonanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldodecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid | Formula: | C114 H199 N3 O54 P2 | SMILES: | CCCCCCCCCCCC(=O)O[CH](CCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCC)OC(=O)C[CH](O)CCCCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](CCCCCC)OC(=O)CCCCCC)[CH](OC(=O)C[CH](O)CCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O[C]5(C[CH](O[CH]6O[CH]([CH](O)[CH](O)[CH]6NC(C)=O)C(O)=O)[CH](O)[CH](O5)[CH](O)CO)C(O)=O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C114H199N3O54P2/c1-9-16-23-29-32-33-36-40-47-54-85(131)157-73(52-45-39-35-31-25-18-11-3)59-88(134)163-103-91(117-83(129)58-72(51-44-37-26-19-12-4)158-86(132)55-70(123)49-42-38-34-30-24-17-10-2)106(154-66-80-94(137)102(162-87(133)56-69(122)48-41-22-15-7)90(108(160-80)171-173(151,152)153)116-82(128)57-71(50-43-27-20-13-5)156-84(130)53-46-28-21-14-6)161-81(101(103)170-172(148,149)150)67-155-112(109(142)143)62-79(165-113(110(144)145)60-74(124)92(135)97(166-113)75(125)63-118)100(99(168-112)77(127)65-120)169-114(111(146)147)61-78(93(136)98(167-114)76(126)64-119)159-107-89(115-68(8)121)95(138)96(139)104(164-107)105(140)141/h69-81,89-104,106-108,118-120,122-127,135-139H,9-67H2,1-8H3,(H,115,121)(H,116,128)(H,117,129)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H2,148,149,150)(H2,151,152,153)/t69-,70-,71-,72+,73+,74-,75-,76-,77-,78-,79-,80-,81-,89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104+,106-,107-,108-,112-,113-,114+/m1/s1 | Definition date: | 2023-10-05 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | (2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxynonanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldodecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid |
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| YX9 | Name: | (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one | Formula: | C21 H29 F2 N5 O2 | SMILES: | FC(F)(c1ccccc1)C(O)CCC1CCC(=O)N1CCCCCCc1nnn[NH]1 | InChi: | InChI=1S/C21H29F2N5O2/c22-21(23,16-8-4-3-5-9-16)18(29)13-11-17-12-14-20(30)28(17)15-7-2-1-6-10-19-24-26-27-25-19/h3-5,8-9,17-18,29H,1-2,6-7,10-15H2,(H,24,25,26,27)/t17-,18+/m0/s1 | Definition date: | 2023-03-02 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one |
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| V9E | Name: | 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine | Formula: | C13 H12 Cl N5 S | SMILES: | Cn1cc(Cc2sccc2)c(n1)c3cc(Cl)nc(N)n3 | InChi: | InChI=1S/C13H12ClN5S/c1-19-7-8(5-9-3-2-4-20-9)12(18-19)10-6-11(14)17-13(15)16-10/h2-4,6-7H,5H2,1H3,(H2,15,16,17) | Definition date: | 2023-02-27 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine |
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| VB6 | Name: | Zosurabalpin | Formula: | C43 H50 N8 O5 S | SMILES: | O=C(O)c1ccc(cc1)c1cccc2Sc3ncccc3CNC(CCCN)C(=O)NC(CCCCN)C(=O)N(C)C(Cc3c[NH]c4ccccc43)C(=O)NCc12 | InChi: | InChI=1S/C43H50N8O5S/c1-51-37(23-30-25-47-34-12-3-2-10-32(30)34)40(53)49-26-33-31(27-16-18-28(19-17-27)43(55)56)11-6-15-38(33)57-41-29(9-8-22-46-41)24-48-35(14-7-21-45)39(52)50-36(42(51)54)13-4-5-20-44/h2-3,6,8-12,15-19,22,25,35-37,47-48H,4-5,7,13-14,20-21,23-24,26,44-45H2,1H3,(H,49,53)(H,50,52)(H,55,56)/t35-,36-,37-/m0/s1 | Synonyms: | 4-{(7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-13-[(1H-indol-3-yl)methyl]-12-methyl-8,11,14-trioxo-5,6,7,8,9,10,11,12,13,14,15,16-dodecahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecin-17-yl}benzoic acid | Definition date: | 2023-01-09 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 4-{(7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-13-[(1H-indol-3-yl)methyl]-12-methyl-8,11,14-trioxo-5,6,7,8,9,10,11,12,13,14,15,16-dodecahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecin-17-yl}benzoic acid |
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| U4I | Name: | N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide | Formula: | C19 H21 F2 N3 O4 S | SMILES: | O=S(=O)(N(C)CC(=O)Nc1cccc(NC(C)=O)c1)c1cc(C)cc(c1)C(F)F | InChi: | InChI=1S/C19H21F2N3O4S/c1-12-7-14(19(20)21)9-17(8-12)29(27,28)24(3)11-18(26)23-16-6-4-5-15(10-16)22-13(2)25/h4-10,19H,11H2,1-3H3,(H,22,25)(H,23,26) | Definition date: | 2023-08-30 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide |
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| WPR | Name: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine | Formula: | C20 H20 N6 | SMILES: | Cc1nn(CC2CC2)c(C)c1c3cncc(c3)c4ccnc5nc[nH]c45 | InChi: | InChI=1S/C20H20N6/c1-12-18(13(2)26(25-12)10-14-3-4-14)16-7-15(8-21-9-16)17-5-6-22-20-19(17)23-11-24-20/h5-9,11,14H,3-4,10H2,1-2H3,(H,22,23,24) | Definition date: | 2023-10-10 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine |
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| W8I | Name: | 1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine | Formula: | C19 H19 Cl2 N5 S | SMILES: | Clc1cccc(Sc2ccc3nc(cnc3n2)N2CCC(C)(N)CC2)c1Cl | InChi: | InChI=1S/C19H19Cl2N5S/c1-19(22)7-9-26(10-8-19)15-11-23-18-13(24-15)5-6-16(25-18)27-14-4-2-3-12(20)17(14)21/h2-6,11H,7-10,22H2,1H3 | Definition date: | 2023-09-27 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine |
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| 7XZ | Name: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid | Formula: | C18 H19 N O8 | SMILES: | COc1ccc2C(=C(CCC(=O)N(CC(O)=O)CC(O)=O)C(=O)Oc2c1)C | InChi: | InChI=1S/C18H19NO8/c1-10-12-4-3-11(26-2)7-14(12)27-18(25)13(10)5-6-15(20)19(8-16(21)22)9-17(23)24/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,22)(H,23,24) | Synonyms: | ZINC2104681 | Definition date: | 2023-03-15 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid |
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| MG3 | Name: | (7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione | Formula: | C36 H44 Cl2 N8 O3 S | SMILES: | Clc1ccc(Cl)c2CNC(=O)C(Cc3c[NH]c4ccccc43)N(C)C(=O)C(CCCCN)NC(=O)C(NCc3cccnc3Sc12)CCCN | InChi: | InChI=1S/C36H44Cl2N8O3S/c1-46-31(18-23-20-42-28-10-3-2-9-24(23)28)34(48)44-21-25-26(37)13-14-27(38)32(25)50-35-22(8-7-17-41-35)19-43-29(12-6-16-40)33(47)45-30(36(46)49)11-4-5-15-39/h2-3,7-10,13-14,17,20,29-31,42-43H,4-6,11-12,15-16,18-19,21,39-40H2,1H3,(H,44,48)(H,45,47)/t29-,30-,31-/m0/s1 | Definition date: | 2023-01-09 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | (7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione |
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| PQX | Name: | 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid | Formula: | C18 H21 N O2 | SMILES: | C[CH](N1CCC(CC1)C(O)=O)c2cccc3ccccc23 | InChi: | InChI=1S/C18H21NO2/c1-13(19-11-9-15(10-12-19)18(20)21)16-8-4-6-14-5-2-3-7-17(14)16/h2-8,13,15H,9-12H2,1H3,(H,20,21)/t13-/m1/s1 | Definition date: | 2023-03-07 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid |
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| EKY | Name: | 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline | Formula: | C21 H19 F2 N O3 | SMILES: | Fc1cc(COc2ccc(cc2)Oc2ccc(cc2N)OCC)c(F)cc1 | InChi: | InChI=1S/C21H19F2NO3/c1-2-25-18-8-10-21(20(24)12-18)27-17-6-4-16(5-7-17)26-13-14-11-15(22)3-9-19(14)23/h3-12H,2,13,24H2,1H3 | Definition date: | 2023-04-26 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline |
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| FEI | Name: | 2-[3-[5-[(E)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid | Formula: | C37 H46 N6 O10 S2 | SMILES: | CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)NCC[S](O)(=O)=O)c(CCC(=O)NCC[S](O)(=O)=O)c2C | InChi: | InChI=1S/C37H46N6O10S2/c1-7-24-23(6)36(46)43-31(24)18-29-22(5)27(10-12-35(45)39-14-16-55(51,52)53)33(41-29)19-32-26(9-11-34(44)38-13-15-54(48,49)50)21(4)28(40-32)17-30-20(3)25(8-2)37(47)42-30/h7-8,17-18,40-41H,1-2,9-16,19H2,3-6H3,(H,38,44)(H,39,45)(H,42,47)(H,43,46)(H,48,49,50)(H,51,52,53)/b30-17+,31-18- | Synonyms: | bilirubin ditaurate | Definition date: | 2023-07-05 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 2-[3-[5-[(~{E})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoylamino]ethanesulfonic acid |
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| I7M | Name: | 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide | Formula: | C41 H47 N7 O5 | SMILES: | COc1nc(O[CH]2CCc3c2cccc3c4cccc(C(=O)Nc5ccc(CNC[CH]6CCC(=O)N6)cn5)c4C)c(C)cc1CNC[CH]7CCC(=O)N7 | InChi: | InChI=1S/C41H47N7O5/c1-24-18-27(21-43-23-29-12-17-38(50)46-29)41(52-3)48-40(24)53-35-14-13-33-32(8-5-9-34(33)35)30-6-4-7-31(25(30)2)39(51)47-36-15-10-26(20-44-36)19-42-22-28-11-16-37(49)45-28/h4-10,15,18,20,28-29,35,42-43H,11-14,16-17,19,21-23H2,1-3H3,(H,45,49)(H,46,50)(H,44,47,51)/t28-,29-,35-/m0/s1 | Definition date: | 2023-07-27 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide |
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| Y4O | Name: | 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | Formula: | C29 H31 N7 O2 | SMILES: | CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3nccc(n3)c4cccnc4)c(C)c2 | InChi: | InChI=1S/C29H31N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-5,7-9,11-15,17-19H,6,10,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35) | Definition date: | 2023-11-20 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide |
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| Y7H | Name: | 5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one | Formula: | C18 H22 N4 O | SMILES: | O=C1c2cccc3[NH]nc(CCN1C1CC4CCN(CC4)C1)c23 | InChi: | InChI=1S/C18H22N4O/c23-18-14-2-1-3-15-17(14)16(20-19-15)6-9-22(18)13-10-12-4-7-21(11-13)8-5-12/h1-3,12-13H,4-11H2,(H,19,20)/t13-/m0/s1 | Definition date: | 2023-01-10 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one |
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| Y82 | Name: | 5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one | Formula: | C17 H20 N4 O | SMILES: | O=C1c2cccc3[NH]nc(CCN1C1CN4CCC1CC4)c23 | InChi: | InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1 | Definition date: | 2023-01-11 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one |
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