 | | WOG | | Name: | (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate | | Formula: | C8 H17 O4 P | | SMILES: | OP(O)(=O)OCC=C(/C)CCCC | | InChi: | InChI=1S/C8H17O4P/c1-3-4-5-8(2)6-7-12-13(9,10)11/h6H,3-5,7H2,1-2H3,(H2,9,10,11)/b8-6+ | | Definition date: | 2021-02-09 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate |
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 | | XHY | | Name: | 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid | | Formula: | C20 H14 O5 | | SMILES: | c1(ccc(C(O)=O)cc1)C#Cc2oc3c(c2CC(O)=O)cc(C)cc3 | | InChi: | InChI=1S/C20H14O5/c1-12-2-8-17-15(10-12)16(11-19(21)22)18(25-17)9-5-13-3-6-14(7-4-13)20(23)24/h2-4,6-8,10H,11H2,1H3,(H,21,22)(H,23,24) | | Definition date: | 2020-12-17 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | 4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid |
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 | | T3B | | Name: | 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide | | Formula: | C30 H31 N5 O5 S2 | | SMILES: | CC(C)C(=O)Nc1sc(cn1)C(=O)NCCN(Cc2ccccc2)C(=O)c3ccc(cc3)[S](=O)(=O)Nc4ccccc4 | | InChi: | InChI=1S/C30H31N5O5S2/c1-21(2)27(36)33-30-32-19-26(41-30)28(37)31-17-18-35(20-22-9-5-3-6-10-22)29(38)23-13-15-25(16-14-23)42(39,40)34-24-11-7-4-8-12-24/h3-16,19,21,34H,17-18,20H2,1-2H3,(H,31,37)(H,32,33,36) | | Definition date: | 2020-12-14 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide |
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 | | 7IZ | | Name: | 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine | | Formula: | C27 H28 Cl F N6 O | | SMILES: | CN1CCCC1COc1nc2c(F)c(ncc2c(n1)N1CCNCC1)c1cccc2cccc(Cl)c21 | | InChi: | InChI=1S/C27H28ClFN6O/c1-34-12-4-7-18(34)16-36-27-32-25-20(26(33-27)35-13-10-30-11-14-35)15-31-24(23(25)29)19-8-2-5-17-6-3-9-21(28)22(17)19/h2-3,5-6,8-9,15,18,30H,4,7,10-14,16H2,1H3/t18-/m0/s1 | | Definition date: | 2021-08-13 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine |
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 | | 7L8 | | Name: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol | | Formula: | C29 H31 F N6 O2 | | SMILES: | CN1CCCC1COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccccc21 | | InChi: | InChI=1S/C29H31FN6O2/c1-35-10-4-6-20(35)16-38-29-33-27-24(28(34-29)36-14-18-8-9-19(15-36)32-18)13-31-26(25(27)30)23-12-21(37)11-17-5-2-3-7-22(17)23/h2-3,5,7,11-13,18-20,32,37H,4,6,8-10,14-16H2,1H3/t18-,19+,20-/m0/s1 | | Definition date: | 2021-08-13 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol |
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 | | 7NL | | Name: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol | | Formula: | C31 H32 F2 N6 O2 | | SMILES: | FC1CC2(CCCN2C1)COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccccc21 | | InChi: | InChI=1S/C31H32F2N6O2/c32-19-12-31(8-3-9-39(31)14-19)17-41-30-36-28-25(29(37-30)38-15-20-6-7-21(16-38)35-20)13-34-27(26(28)33)24-11-22(40)10-18-4-1-2-5-23(18)24/h1-2,4-5,10-11,13,19-21,35,40H,3,6-9,12,14-17H2/t19-,20-,21+,31+/m1/s1 | | Definition date: | 2021-08-13 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol |
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 | | 7NZ | | Name: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol | | Formula: | C31 H32 F2 N6 O2 | | SMILES: | FC1CC2(CCCN2C1)COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccccc21 | | InChi: | InChI=1S/C31H32F2N6O2/c32-19-12-31(8-3-9-39(31)14-19)17-41-30-36-28-25(29(37-30)38-15-20-6-7-21(16-38)35-20)13-34-27(26(28)33)24-11-22(40)10-18-4-1-2-5-23(18)24/h1-2,4-5,10-11,13,19-21,35,40H,3,6-9,12,14-17H2/t19-,20-,21+,31+/m0/s1 | | Definition date: | 2021-08-13 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol |
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 | | 7OE | | Name: | 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine | | Formula: | C33 H32 F2 N6 O | | SMILES: | C#Cc1c2c(ccc1F)cccc2c1ncc2c(nc(nc2N2CC3CCC(N3)C2)OCC23CCCN3CCC2)c1F | | InChi: | InChI=1S/C33H32F2N6O/c1-2-23-26(34)11-8-20-6-3-7-24(27(20)23)29-28(35)30-25(16-36-29)31(40-17-21-9-10-22(18-40)37-21)39-32(38-30)42-19-33-12-4-14-41(33)15-5-13-33/h1,3,6-8,11,16,21-22,37H,4-5,9-10,12-15,17-19H2/t21-,22+ | | Definition date: | 2021-08-13 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine |
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 | | 7RU | | Name: | 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea | | Formula: | C21 H32 Cl2 N4 O | | SMILES: | CN(C)C(=O)N[CH]1CC[CH](CC1)CCN2CCN(CC2)c3cccc(Cl)c3Cl | | InChi: | InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17- | | Synonyms: | Cariprazine | | Definition date: | 2021-10-15 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea |
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 | | G5R | | Name: | 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea | | Formula: | C27 H41 N5 O4 | | SMILES: | COc1cc(ccc1OCCN2CCOCC2)N(CC3CCCC3)C(=O)NCCCn4cncc4C | | InChi: | InChI=1S/C27H41N5O4/c1-22-19-28-21-31(22)11-5-10-29-27(33)32(20-23-6-3-4-7-23)24-8-9-25(26(18-24)34-2)36-17-14-30-12-15-35-16-13-30/h8-9,18-19,21,23H,3-7,10-17,20H2,1-2H3,(H,29,33) | | Definition date: | 2020-07-28 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea |
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 | | 6IC | | Name: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol | | Formula: | C33 H31 F3 N6 O2 | | SMILES: | FC1CC2(CCCN2C1)COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccc(F)c(C#C)c21 | | InChi: | InChI=1S/C33H31F3N6O2/c1-2-23-26(35)7-4-18-10-22(43)11-24(27(18)23)29-28(36)30-25(13-37-29)31(41-15-20-5-6-21(16-41)38-20)40-32(39-30)44-17-33-8-3-9-42(33)14-19(34)12-33/h1,4,7,10-11,13,19-21,38,43H,3,5-6,8-9,12,14-17H2/t19-,20-,21+,33+/m1/s1 | | Synonyms: | MRTX-1133 | | Definition date: | 2021-08-05 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol |
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 | | HFU | | Name: | 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one | | Formula: | C28 H23 N3 O4 S | | SMILES: | Cc1cc2n3C(=CNC(=O)c13)CN(C(=O)c4cccc5ccccc45)c6ccc(C[S](C)(=O)=O)cc26 | | InChi: | InChI=1S/C28H23N3O4S/c1-17-12-25-23-13-18(16-36(2,34)35)10-11-24(23)30(15-20-14-29-27(32)26(17)31(20)25)28(33)22-9-5-7-19-6-3-4-8-21(19)22/h3-14H,15-16H2,1-2H3,(H,29,32) | | Definition date: | 2021-01-05 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 |
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 | | HB3 | | Name: | 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine | | Formula: | C4 H8 N4 S | | SMILES: | NCCSc1[nH]ncn1 | | InChi: | InChI=1S/C4H8N4S/c5-1-2-9-4-6-3-7-8-4/h3H,1-2,5H2,(H,6,7,8) | | Definition date: | 2020-12-15 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | 2-(1~{H}-1,2,4-triazol-5-ylsulfanyl)ethanamine |
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 | | 4R2 | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(~{E})-4-carbamimidamidobut-2-enoyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | Formula: | C32 H42 N12 O16 P2 | | SMILES: | N=C(N)NCC=CC(=O)N1c2cc(C)c(C)cc2N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C=2NC(=O)NC(=O)C1=2 | | InChi: | InChI=1S/C32H42N12O16P2/c1-13-6-15-16(7-14(13)2)44(20(47)4-3-5-36-31(34)35)22-28(40-32(52)41-29(22)51)42(15)8-17(45)23(48)18(46)9-57-61(53,54)60-62(55,56)58-10-19-24(49)25(50)30(59-19)43-12-39-21-26(33)37-11-38-27(21)43/h3-4,6-7,11-12,17-19,23-25,30,45-46,48-50H,5,8-10H2,1-2H3,(H,53,54)(H,55,56)(H2,33,37,38)(H4,34,35,36)(H2,40,41,51,52)/b4-3+/t17-,18+,19+,23-,24+,25+,30+/m0/s1 | | Definition date: | 2021-07-13 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[(2E)-4-carbamimidamidobut-2-enoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | | 0XI | | Name: | (2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate | | Formula: | C10 H13 O4 P | | SMILES: | C/C(=CCOP(=O)(O)O)c1ccccc1 | | InChi: | InChI=1S/C10H13O4P/c1-9(7-8-14-15(11,12)13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,11,12,13)/b9-7+ | | Definition date: | 2021-06-18 | | Last modified: | 2021-12-17 | | Release date: | 2021-12-22 | | Identifier: | (2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate |
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 | | YT1 | | Name: | PB28 | | Formula: | C24 H38 N2 O | | SMILES: | COc1cccc2c1CCCC2CCCN1CCN(CC1)C1CCCCC1 | | InChi: | InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m1/s1 | | Synonyms: | 1-cyclohexyl-4-{3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl}piperazine | | Definition date: | 2021-03-31 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | 1-cyclohexyl-4-{3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl}piperazine |
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 | | YT7 | | Name: | Roluperidone | | Formula: | C22 H23 F N2 O2 | | SMILES: | O=C(CN1CCC(CC1)CN1Cc2ccccc2C1=O)c1ccc(F)cc1 | | InChi: | InChI=1S/C22H23FN2O2/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27/h1-8,16H,9-15H2 | | Synonyms: | 2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-one | | Definition date: | 2021-03-31 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | 2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-one |
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 | | YTC | | Name: | (3~{S},4~{S})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one | | Formula: | C22 H24 O7 | | SMILES: | COc1cc(C[CH]2[CH](COC2=O)Cc3ccc4OCOc4c3)cc(OC)c1OC | | InChi: | InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m1/s1 | | Definition date: | 2021-03-18 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | (3~{S},4~{S})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one |
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 | | YTD | | Name: | 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one | | Formula: | C21 H26 N2 O2 | | SMILES: | CC(C)(NCc1ccc2c(CCC(=O)N2C)c1)C(O)c1ccccc1 | | InChi: | InChI=1S/C21H26N2O2/c1-21(2,20(25)16-7-5-4-6-8-16)22-14-15-9-11-18-17(13-15)10-12-19(24)23(18)3/h4-9,11,13,20,22,25H,10,12,14H2,1-3H3/t20-/m0/s1 | | Definition date: | 2021-03-31 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one |
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 | | YTN | | Name: | (3~{R},4~{R})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one | | Formula: | C22 H24 O7 | | SMILES: | COc1cc(C[CH]2[CH](COC2=O)Cc3ccc4OCOc4c3)cc(OC)c1OC | | InChi: | InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1 | | Definition date: | 2021-02-17 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | (3~{R},4~{R})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one |
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 | | VBV | | Name: | [1,1'-biphenyl]-4,4'-disulfonic acid | | Formula: | C12 H10 O6 S2 | | SMILES: | O=S(c2ccc(c1ccc(cc1)S(O)(=O)=O)cc2)(=O)O | | InChi: | InChI=1S/C12H10O6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H,13,14,15)(H,16,17,18) | | Definition date: | 2020-07-24 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | [1,1'-biphenyl]-4,4'-disulfonic acid |
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 | | Y6S | | Name: | 6-iodanyl-1~{H}-indole-2-carboxylic acid | | Formula: | C9 H6 I N O2 | | SMILES: | OC(=O)c1[nH]c2cc(I)ccc2c1 | | InChi: | InChI=1S/C9H6INO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13) | | Definition date: | 2021-02-08 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | 6-iodanyl-1~{H}-indole-2-carboxylic acid |
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 | | 5KM | | Name: | 2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid | | Formula: | C17 H17 N O6 | | SMILES: | OC[CH]1OC=C[CH](OCc2ccc3ccc(cc3n2)C(O)=O)[CH]1O | | InChi: | InChI=1S/C17H17NO6/c19-8-15-16(20)14(5-6-23-15)24-9-12-4-3-10-1-2-11(17(21)22)7-13(10)18-12/h1-7,14-16,19-20H,8-9H2,(H,21,22)/t14-,15-,16-/m1/s1 | | Definition date: | 2021-07-13 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | 2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid |
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 | | ZNC | | Name: | 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine | | Formula: | C21 H23 N3 | | SMILES: | C(CCN1CC=C(CC1)c1c[NH]c2ncccc21)c1ccccc1 | | InChi: | InChI=1S/C21H23N3/c1-2-6-17(7-3-1)8-5-13-24-14-10-18(11-15-24)20-16-23-21-19(20)9-4-12-22-21/h1-4,6-7,9-10,12,16H,5,8,11,13-15H2,(H,22,23) | | Definition date: | 2021-03-31 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine |
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 | | 1KD | | Name: | 1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine] | | Formula: | C27 H36 N4 O5 S | | SMILES: | CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)N1CCC2(CC1)CN(c1ccccc12)S(C)(=O)=O | | InChi: | InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1 | | Definition date: | 2021-06-22 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | 1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine] |
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