 | | 86F | | Name: | (3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide | | Formula: | C12 H19 N3 O S | | SMILES: | CSC(=N)N1CC[CH](C1)C(=O)NCCCC#C | | InChi: | InChI=1S/C12H19N3OS/c1-3-4-5-7-14-11(16)10-6-8-15(9-10)12(13)17-2/h1,10,13H,4-9H2,2H3,(H,14,16)/b13-12-/t10-/m0/s1 | | Definition date: | 2023-07-10 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | methyl (3~{S})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioate |
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 | | 87Q | | Name: | Z-7-[(1R,2R,3R,5S)-2-[(E,3S)-3-methyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid | | Formula: | C21 H36 O5 | | SMILES: | CCCCC[C](C)(O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O | | InChi: | InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1 | | Synonyms: | 7-[3,5-Dihydroxy-2-(3-hydroxy-3-methyloct-1-enyl)cyclopentyl]hept-5-enoic acid | | Definition date: | 2023-03-22 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{S})-3-methyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid |
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 | | R6I | | Name: | ~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide | | Formula: | C20 H26 N4 O5 S | | SMILES: | COc1cc2NN(CC[S](C)(=O)=O)Cc2cc1NC(=O)c3cccc(n3)C(C)(C)O | | InChi: | InChI=1S/C20H26N4O5S/c1-20(2,26)18-7-5-6-14(21-18)19(25)22-16-10-13-12-24(8-9-30(4,27)28)23-15(13)11-17(16)29-3/h5-7,10-11,23,26H,8-9,12H2,1-4H3,(H,22,25) | | Definition date: | 2022-11-23 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | ~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide |
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 | | R6R | | Name: | 3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide | | Formula: | C27 H24 N6 O5 | | SMILES: | O=C(Cn1cc2cc(NC(=O)c3cccc(c3)[N](=O)=O)ccc2n1)N4CCN(CC4)C(=O)c5ccccc5 | | InChi: | InChI=1S/C27H24N6O5/c34-25(30-11-13-31(14-12-30)27(36)19-5-2-1-3-6-19)18-32-17-21-15-22(9-10-24(21)29-32)28-26(35)20-7-4-8-23(16-20)33(37)38/h1-10,15-17H,11-14,18H2,(H,28,35) | | Definition date: | 2022-11-23 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | 3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide |
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 | | R73 | | Name: | ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | Formula: | C19 H15 F3 N6 O | | SMILES: | Cn1c(C)nc2cc(c3[nH]ncc3)c(NC(=O)c4cccc(n4)C(F)(F)F)cc12 | | InChi: | InChI=1S/C19H15F3N6O/c1-10-24-15-8-11(12-6-7-23-27-12)14(9-16(15)28(10)2)26-18(29)13-4-3-5-17(25-13)19(20,21)22/h3-9H,1-2H3,(H,23,27)(H,26,29) | | Definition date: | 2022-11-23 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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 | | F28 | | Name: | 4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde | | Formula: | C21 H22 N2 O2 | | SMILES: | O=CN1CCC(CC1)N2[CH]([CH](C2=O)c3ccccc3)c4ccccc4 | | InChi: | InChI=1S/C21H22N2O2/c24-15-22-13-11-18(12-14-22)23-20(17-9-5-2-6-10-17)19(21(23)25)16-7-3-1-4-8-16/h1-10,15,18-20H,11-14H2/t19-,20+/m1/s1 | | Definition date: | 2023-07-18 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | 4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde |
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 | | U1L | | Name: | 4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide | | Formula: | C15 H17 N5 O3 | | SMILES: | C[CH](Nc1nc(nc2ccccc12)C(=O)NCC=C)C(=O)NO | | InChi: | InChI=1S/C15H17N5O3/c1-3-8-16-15(22)13-18-11-7-5-4-6-10(11)12(19-13)17-9(2)14(21)20-23/h3-7,9,23H,1,8H2,2H3,(H,16,22)(H,20,21)(H,17,18,19)/t9-/m0/s1 | | Definition date: | 2023-01-19 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | 4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide |
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 | | U2C | | Name: | (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide | | Formula: | C17 H17 Cl N4 O3 | | SMILES: | C[CH](Cc1nc(NCc2occc2)nc3ccc(Cl)cc13)C(=O)NO | | InChi: | InChI=1S/C17H17ClN4O3/c1-10(16(23)22-24)7-15-13-8-11(18)4-5-14(13)20-17(21-15)19-9-12-3-2-6-25-12/h2-6,8,10,24H,7,9H2,1H3,(H,22,23)(H,19,20,21)/t10-/m1/s1 | | Definition date: | 2023-01-19 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide |
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 | | U2O | | Name: | (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide | | Formula: | C15 H17 Cl N4 O2 | | SMILES: | C[CH](Cc1nc(NCC=C)nc2ccc(Cl)cc12)C(=O)NO | | InChi: | InChI=1S/C15H17ClN4O2/c1-3-6-17-15-18-12-5-4-10(16)8-11(12)13(19-15)7-9(2)14(21)20-22/h3-5,8-9,22H,1,6-7H2,2H3,(H,20,21)(H,17,18,19)/t9-/m1/s1 | | Definition date: | 2023-01-20 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide |
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 | | UJX | | Name: | ethyl 2-acetamido-7-hydroxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate | | Formula: | C19 H18 N2 O5 | | SMILES: | CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[CH]1c3cccnc3 | | InChi: | InChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22)/t16-/m0/s1 | | Synonyms: | ethyl (4S)-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4H-chromene-3-carboxylate | | Definition date: | 2023-02-06 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | ethyl (4~{S})-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4~{H}-chromene-3-carboxylate |
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 | | UKG | | Name: | 4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide | | Formula: | C11 H7 Br Cl N5 O2 S2 | | SMILES: | Clc1sc(cc1Br)[S](=O)(=O)Nc2cccc(c2)c3[nH]nnn3 | | InChi: | InChI=1S/C11H7BrClN5O2S2/c12-8-5-9(21-10(8)13)22(19,20)16-7-3-1-2-6(4-7)11-14-17-18-15-11/h1-5,16H,(H,14,15,17,18) | | Definition date: | 2023-02-06 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | 4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide |
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 | | UP9 | | Name: | (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide | | Formula: | C28 H38 F N7 O3 | | SMILES: | O=C(N1CCN(C)CC1)C1Cc2[NH]c3c(cc(F)c(N4CCCC(C4)N4CCN(C)C4=O)c3c2CC1)C(N)=O | | InChi: | InChI=1S/C28H38FN7O3/c1-32-8-11-34(12-9-32)27(38)17-5-6-19-22(14-17)31-24-20(26(30)37)15-21(29)25(23(19)24)35-7-3-4-18(16-35)36-13-10-33(2)28(36)39/h15,17-18,31H,3-14,16H2,1-2H3,(H2,30,37)/t17-,18-/m0/s1 | | Definition date: | 2023-09-06 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide |
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 | | UPI | | Name: | 3-[(1Z,9Z)-3,8,13,18-tetrakis(2-hydroxy-2-oxoethyl)-7,12,17-tris(3-hydroxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoic acid | | Formula: | C40 H38 N4 O16 | | SMILES: | OC(=O)CCc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(CC(O)=O)c5CCC(O)=O)c(CC(O)=O)c4CCC(O)=O)c(CC(O)=O)c3CCC(O)=O)c1CC(O)=O | | InChi: | InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15- | | Synonyms: | uroporphyrin I | | Definition date: | 2023-02-01 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | 3-[(1~{Z},9~{Z})-3,8,13,18-tetrakis(2-hydroxy-2-oxoethyl)-7,12,17-tris(3-hydroxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoic acid |
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 | | CTQ | | Name: | (2~{R},4~{R},5~{S},6~{S})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{S})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid | | Formula: | C102 H190 N2 O32 P2 | | SMILES: | CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](O)CCCCCCCCCCC)[CH](OC(=O)C[CH](O)CCCCCCCCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O | | InChi: | InChI=1S/C102H190N2O32P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-88(113)129-80(66-60-54-48-42-35-29-23-17-11-5)72-90(115)133-98-92(104-86(111)71-79(65-59-53-47-41-34-28-22-16-10-4)128-87(112)67-61-55-49-43-36-30-24-18-12-6)99(131-84(96(98)135-137(120,121)122)76-127-102(101(118)119)73-81(108)93(116)95(134-102)82(109)74-105)126-75-83-94(117)97(132-89(114)70-78(107)64-58-52-46-40-33-27-21-15-9-3)91(100(130-83)136-138(123,124)125)103-85(110)69-77(106)63-57-51-45-39-32-26-20-14-8-2/h77-84,91-100,105-109,116-117H,7-76H2,1-6H3,(H,103,110)(H,104,111)(H,118,119)(H2,120,121,122)(H2,123,124,125)/t77-,78-,79-,80+,81-,82-,83-,84-,91+,92-,93+,94+,95+,96-,97-,98+,99+,100+,102-/m1/s1 | | Definition date: | 2023-07-17 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | (2~{R},4~{R},5~{S},6~{S})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{S})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid |
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 | | O4U | | Name: | ~{N}-methyl-1-[4-[[[1-methyl-5-(phenylmethyl)pyrazol-3-yl]carbonylamino]methyl]phenyl]benzimidazole-5-carboxamide | | Formula: | C28 H26 N6 O2 | | SMILES: | CNC(=O)c1ccc2n(cnc2c1)c3ccc(CNC(=O)c4cc(Cc5ccccc5)n(C)n4)cc3 | | InChi: | InChI=1S/C28H26N6O2/c1-29-27(35)21-10-13-26-24(15-21)31-18-34(26)22-11-8-20(9-12-22)17-30-28(36)25-16-23(33(2)32-25)14-19-6-4-3-5-7-19/h3-13,15-16,18H,14,17H2,1-2H3,(H,29,35)(H,30,36) | | Definition date: | 2023-01-23 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | ~{N}-methyl-1-[4-[[[1-methyl-5-(phenylmethyl)pyrazol-3-yl]carbonylamino]methyl]phenyl]benzimidazole-5-carboxamide |
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 | | DNU | | Name: | 1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one | | Formula: | C34 H33 F3 N6 O3 | | SMILES: | OCCC(=O)N1CCN(CC1)c2nc(OC[C]34CCCN3C[CH](F)C4)nc5c(F)c(ncc25)c6cccc7ccc(F)c(C#C)c67 | | InChi: | InChI=1S/C34H33F3N6O3/c1-2-23-26(36)8-7-21-5-3-6-24(28(21)23)30-29(37)31-25(18-38-30)32(42-14-12-41(13-15-42)27(45)9-16-44)40-33(39-31)46-20-34-10-4-11-43(34)19-22(35)17-34/h1,3,5-8,18,22,44H,4,9-17,19-20H2/t22-,34+/m1/s1 | | Definition date: | 2023-06-02 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | 1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one |
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 | | DWI | | Name: | (2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one | | Formula: | C34 H33 F3 N6 O3 | | SMILES: | C[CH](O)C(=O)N1CCN(CC1)c2nc(OC[C]34CCCN3C[CH](F)C4)nc5c(F)c(ncc25)c6cccc7ccc(F)c(C#C)c67 | | InChi: | InChI=1S/C34H33F3N6O3/c1-3-23-26(36)9-8-21-6-4-7-24(27(21)23)29-28(37)30-25(17-38-29)31(41-12-14-42(15-13-41)32(45)20(2)44)40-33(39-30)46-19-34-10-5-11-43(34)18-22(35)16-34/h1,4,6-9,17,20,22,44H,5,10-16,18-19H2,2H3/t20-,22+,34-/m0/s1 | | Definition date: | 2023-06-06 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | (2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one |
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 | | T60 | | Name: | ethyl 4-[(4-pyrazol-1-ylphenyl)methylcarbamoylamino]benzoate | | Formula: | C20 H20 N4 O3 | | SMILES: | CCOC(=O)c1ccc(NC(=O)NCc2ccc(cc2)n3cccn3)cc1 | | InChi: | InChI=1S/C20H20N4O3/c1-2-27-19(25)16-6-8-17(9-7-16)23-20(26)21-14-15-4-10-18(11-5-15)24-13-3-12-22-24/h3-13H,2,14H2,1H3,(H2,21,23,26) | | Synonyms: | ethyl 4-(3-(4-(1H-pyrazol-1-yl)benzyl)ureido)benzoate | | Definition date: | 2022-12-21 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | ethyl 4-[(4-pyrazol-1-ylphenyl)methylcarbamoylamino]benzoate |
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 | | UQX | | Name: | (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide | | Formula: | C31 H30 N6 O3 | | SMILES: | CNC(=O)C1Cc2c3ccccc3[NH]c2CN1C(=O)C(Cc1cccc(C)c1)NC(=O)c1cc2cn[NH]c2cc1 | | InChi: | InChI=1S/C31H30N6O3/c1-18-6-5-7-19(12-18)13-26(35-29(38)20-10-11-24-21(14-20)16-33-36-24)31(40)37-17-27-23(15-28(37)30(39)32-2)22-8-3-4-9-25(22)34-27/h3-12,14,16,26,28,34H,13,15,17H2,1-2H3,(H,32,39)(H,33,36)(H,35,38)/t26-,28-/m1/s1 | | Definition date: | 2023-09-06 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide |
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 | | BJ3 | | Name: | ~{N}-[(2~{R})-1-[[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6-[5-[(4~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanamide | | Formula: | C62 H84 N11 O9 P S | | SMILES: | NC(=N)NCCC[CH](NC(=O)[CH](C[CH]1CNc2ccccc12)NC(=O)[CH](CC3CCCCC3)NC(=O)[CH](Cc4ccccc4)NC(=O)CCCCCNC(=O)CCCCC5SCC6NC(=O)NC56)[P](=O)(Oc7ccccc7)Oc8ccccc8 | | InChi: | InChI=1S/C62H84N11O9PS/c63-61(64)66-36-20-34-56(83(80,81-45-25-10-3-11-26-45)82-46-27-12-4-13-28-46)72-60(78)51(39-44-40-67-48-30-16-15-29-47(44)48)70-59(77)50(38-43-23-8-2-9-24-43)69-58(76)49(37-42-21-6-1-7-22-42)68-55(75)33-14-5-19-35-65-54(74)32-18-17-31-53-57-52(41-84-53)71-62(79)73-57/h1,3-4,6-7,10-13,15-16,21-22,25-30,43-44,49-53,56-57,67H,2,5,8-9,14,17-20,23-24,31-41H2,(H,65,74)(H,68,75)(H,69,76)(H,70,77)(H,72,78)(H4,63,64,66)(H2,71,73,79)/t44-,49-,50+,51+,52?,53?,56-,57?/m1/s1 | | Definition date: | 2021-12-08 | | Last modified: | 2024-01-25 | | Release date: | 2022-11-09 | | Identifier: | ~{N}-[(2~{R})-1-[[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6-[5-(2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide |
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 | | BQG | | Name: | (2~{R})-~{N}-[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-2-formamido-3-phenyl-propanamide | | Formula: | C63 H80 N11 O10 P S | | SMILES: | NC(=N)NCCC[CH](NC(=O)[CH](C[CH]1CNc2ccccc12)NC(=O)[CH](COCc3ccccc3)NC(=O)[CH](Cc4ccccc4)NC(=O)CCCCCNC(=O)CCCCC5SCC6NC(=O)NC56)[P](=O)(Oc7ccccc7)Oc8ccccc8 | | InChi: | InChI=1S/C63H80N11O10PS/c64-62(65)67-36-20-34-57(85(81,83-46-25-10-3-11-26-46)84-47-27-12-4-13-28-47)73-60(78)51(38-45-39-68-49-30-16-15-29-48(45)49)70-61(79)52(41-82-40-44-23-8-2-9-24-44)71-59(77)50(37-43-21-6-1-7-22-43)69-56(76)33-14-5-19-35-66-55(75)32-18-17-31-54-58-53(42-86-54)72-63(80)74-58/h1-4,6-13,15-16,21-30,45,50-54,57-58,68H,5,14,17-20,31-42H2,(H,66,75)(H,69,76)(H,70,79)(H,71,77)(H,73,78)(H4,64,65,67)(H2,72,74,80)/t45-,50-,51+,52+,53?,54?,57-,58?/m1/s1 | | Definition date: | 2021-12-08 | | Last modified: | 2024-01-25 | | Release date: | 2022-10-26 | | Identifier: | ~{N}-[(2~{R})-1-[[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6-[5-(2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide |
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 | | EL5 | | Name: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid | | Formula: | C33 H36 N4 O6 | | SMILES: | CC=C1C(=C/C2=N/C(=Cc3[NH]c(/C=C4/NC(=O)C(C=C)=C4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)/NC(=O)C1C | | InChi: | InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,34H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,26-13+,27-14-,29-15-/t19-/m0/s1 | | Synonyms: | biliverdin, bound form at Pfr state | | Definition date: | 2018-03-26 | | Last modified: | 2024-01-23 | | Release date: | 2018-11-28 | | Identifier: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid |
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 | | PWR | | Name: | (4R)-6-chloro-N-(2-oxo-2lambda~5~-isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C19 H15 Cl N2 O3 | | SMILES: | [O-][n+]1cc2ccccc2c(c1)NC(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C19H15ClN2O3/c20-13-5-6-18-16(9-13)15(7-8-25-18)19(23)21-17-11-22(24)10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,21,23)/t15-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2024-01-23 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(2-oxo-2lambda~5~-isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | V8D | | Name: | Etomidate | | Formula: | C14 H16 N2 O2 | | SMILES: | C(C)(n1c(cnc1)C(OCC)=O)c2ccccc2 | | InChi: | InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1 | | Definition date: | 2020-07-14 | | Last modified: | 2024-01-23 | | Release date: | 2020-09-09 | | Identifier: | ethyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate |
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 | | S3X | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C29 H26 Cl N5 O4 | | SMILES: | [O-][N+](=O)c1ccc(cc1)C(C)NC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C29H26ClN5O4/c1-18(19-7-10-23(11-8-19)35(38)39)32-28(36)17-34-15-21-6-9-22(30)12-25(21)26(16-34)29(37)33-27-14-31-13-20-4-2-3-5-24(20)27/h2-14,18,26H,15-17H2,1H3,(H,32,36)(H,33,37)/t18-,26+/m0/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2024-01-23 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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