 | | 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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 | | OD6 | | Name: | 4-[4-(phenylmethyl)phenyl]-1,3-selenazol-2-amine | | Formula: | C16 H14 N2 Se | | SMILES: | Nc1[se]cc(n1)c2ccc(Cc3ccccc3)cc2 | | InChi: | InChI=1S/C16H14N2Se/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18) | | Synonyms: | 4-(4-Benzylphenyl)-selenazol-2-amine | | Definition date: | 2022-09-05 | | Last modified: | 2023-04-28 | | Release date: | 2023-05-03 | | Identifier: | 4-[4-(phenylmethyl)phenyl]-1,3-selenazol-2-amine |
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 | | ZIV | | Name: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-5-[bis(oxidanyl)phosphanyloxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3~{H}-purin-7-yl]ethyl]amino]-2-azanyl-butanoic acid | | Formula: | C26 H39 N12 O12 P | | SMILES: | O=C(O)C(N)CCN(CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)CCN1CN(C2OC(COP(O)O)C(O)C2O)C=2NC(N)=NC(=O)C1=2 | | InChi: | InChI=1S/C26H39N12O12P/c27-10(25(44)45)1-2-35(5-11-15(39)17(41)23(49-11)37-8-32-13-19(28)30-7-31-20(13)37)3-4-36-9-38(21-14(36)22(43)34-26(29)33-21)24-18(42)16(40)12(50-24)6-48-51(46)47/h7-8,10-12,15-18,23-24,39-42,46,51H,1-6,9,27H2,(H,44,45)(H2,28,30,31)(H3,29,33,34,43)/q-1/t10-,11+,12+,15+,16-,17+,18+,23+,24+/m0/s1 | | Definition date: | 2023-03-13 | | Last modified: | 2023-04-07 | | Release date: | 2023-04-12 | | Identifier: | (2S)-2-amino-4-[(2-{2-amino-9-[(2R,3R,4R,5R)-5-{[(dihydroxyphosphanyl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-6-oxo-3,6,8,9-tetrahydro-7H-purin-7-yl}ethyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}amino]butanoic acid (non-preferred name) |
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 | | EBL | | Name: | (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one | | Formula: | C26 H29 Cl F2 N6 O3 | | SMILES: | C[CH]1C[CH](O)CN(C1)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)C5=C(N[CH](C6CC6)C(F)(F)CO5)c4c3)n2 | | InChi: | InChI=1S/C26H29ClF2N6O3/c1-13-7-16(36)11-35(10-13)25-30-9-18(27)23(33-25)31-15-5-6-19-17(8-15)20-21(24(37)34(19)2)38-12-26(28,29)22(32-20)14-3-4-14/h5-6,8-9,13-14,16,22,32,36H,3-4,7,10-12H2,1-2H3,(H,30,31,33)/t13-,16+,22-/m0/s1 | | Definition date: | 2022-01-05 | | Last modified: | 2022-08-22 | | Release date: | 2022-06-15 | | Identifier: | (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one |
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 | | MWX | | Name: | Fradafiban | | Formula: | C20 H21 N3 O4 | | SMILES: | N=C(N)c1ccc(cc1)c1ccc(cc1)OCC1CC(CC(=O)O)C(=O)N1 | | InChi: | InChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1 | | Synonyms: | [(3S,5S)-5-{[(4'-carbamimidoyl[1,1'-biphenyl]-4-yl)oxy]methyl}-2-oxopyrrolidin-3-yl]acetic acid | | Definition date: | 2022-03-21 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | [(3S,5S)-5-{[(4'-carbamimidoyl[1,1'-biphenyl]-4-yl)oxy]methyl}-2-oxopyrrolidin-3-yl]acetic acid |
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 | | QR0 | | Name: | (1S,2S)-4-hydroxy-1-{4-[(1H-imidazol-1-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C20 H18 N4 O4 | | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc(Nn2ccnc2)cc1 | | InChi: | InChI=1S/C20H18N4O4/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)22-19(26)12-4-6-13(7-5-12)23-24-9-8-21-11-24/h1-9,11,16,18,23,25H,10H2,(H,22,26)(H,27,28)/t16-,18+/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,2S)-4-hydroxy-1-{4-[(1H-imidazol-1-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | GZX | | Name: | (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione | | Formula: | C27 H42 N2 O5 S | | SMILES: | C[CH]1CCC[C]2(C)O[CH]2C[CH](NC(=O)C[CH](O)C(C)(C)C(=O)[CH](C)[CH]1O)C(C)=Cc3csc(C)n3 | | InChi: | InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1 | | Synonyms: | Ixabepilone | | Definition date: | 2020-10-19 | | Last modified: | 2021-11-09 | | Release date: | 2021-03-24 | | Identifier: | (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione |
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 | | XZM | | Name: | N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide | | Formula: | C42 H40 F3 N7 O7 S5 | | SMILES: | N1(Cc2c(CC1)cccc2C(=O)Nc4nc3c(cccc3)s4)c8scc(C(NS(c5cc(S(=O)(C(F)(F)F)=O)c(cc5)NC(CCN6CCOCC6)CSc7ccccc7)(=O)=O)=O)n8 | | InChi: | InChI=1S/C42H40F3N7O7S5/c43-42(44,45)63(55,56)37-23-30(13-14-34(37)46-28(16-17-51-19-21-59-22-20-51)25-60-29-8-2-1-3-9-29)64(57,58)50-39(54)35-26-61-41(48-35)52-18-15-27-7-6-10-31(32(27)24-52)38(53)49-40-47-33-11-4-5-12-36(33)62-40/h1-14,23,26,28,46H,15-22,24-25H2,(H,50,54)(H,47,49,53)/t28-/m1/s1 | | Definition date: | 2021-01-22 | | Last modified: | 2021-06-18 | | Release date: | 2021-06-23 | | Identifier: | N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide |
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 | | 9SC | | Name: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one | | Formula: | C23 H27 Cl2 N3 O2 | | SMILES: | Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl | | InChi: | InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29) | | Synonyms: | Aripiprazole | | Definition date: | 2018-07-11 | | Last modified: | 2021-03-01 | | Release date: | 2018-10-24 | | Identifier: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1~{H}-quinolin-2-one |
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 | | A3W | | Name: | 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine | | Formula: | C17 H20 F3 N7 O2 | | SMILES: | Nc1cc(c(cn1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F | | InChi: | InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22) | | Synonyms: | PQR309 | | Definition date: | 2017-08-10 | | Last modified: | 2021-03-01 | | Release date: | 2017-09-06 | | Identifier: | 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine |
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 | | D1V | | Name: | 2-mercapto(3H)quinazolinone | | Formula: | C8 H6 N2 O S | | SMILES: | O=C1c2c(N=C(S)N1)cccc2 | | InChi: | InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) | | Synonyms: | 2-sulfanylquinazolin-4(3H)-one | | Definition date: | 2008-05-08 | | Last modified: | 2021-03-01 | | Identifier: | 2-sulfanylquinazolin-4(3H)-one |
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 | | 8KU | | Name: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide | | Formula: | C26 H25 Cl N4 O5 S | | SMILES: | C3(=O)C(O)=C(C(=O)NCC2Cc1ccccc1O2)N=C(N3)C4CCCN4C(CSc5ccccc5Cl)=O | | InChi: | InChI=1S/C26H25ClN4O5S/c27-17-7-2-4-10-20(17)37-14-21(32)31-11-5-8-18(31)24-29-22(23(33)26(35)30-24)25(34)28-13-16-12-15-6-1-3-9-19(15)36-16/h1-4,6-7,9-10,16,18,33H,5,8,11-14H2,(H,28,34)(H,29,30,35)/t16-,18-/m0/s1 | | Synonyms: | SRI-30027 | | Definition date: | 2017-07-11 | | Last modified: | 2021-03-01 | | Release date: | 2018-01-03 | | Identifier: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
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 | | 51V | | Name: | 2-methylaniline | | Formula: | C7 H9 N | | SMILES: | c1cc(C)c(cc1)N | | InChi: | InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3 | | Synonyms: | o-Toluidine | | Definition date: | 2015-07-13 | | Last modified: | 2021-03-01 | | Release date: | 2016-08-03 | | Identifier: | 2-methylaniline |
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 | | 08Y | | Name: | bromoergocryptine | | Formula: | C32 H40 Br N5 O5 | | SMILES: | Brc7nc6cccc5C4=CC(C(=O)NC1(OC3(O)N(C1=O)C(C(=O)N2CCCC23)CC(C)C)C(C)C)CN(C)C4Cc7c56 | | InChi: | InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1 | | Synonyms: | bromocriptine | | Definition date: | 2011-10-31 | | Last modified: | 2021-03-01 | | Identifier: | (5alpha,5'beta)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman |
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 | | D7S | | Name: | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid | | Formula: | C27 H42 O3 | | SMILES: | O=C(O)C(C)CCCC(C)C4C3(CCC1C(=CCC2CC(=O)CCC12C)C3CC4)C | | InChi: | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1 | | Synonyms: | (25S)-delta7-dafachronic acid | | Definition date: | 2011-11-18 | | Last modified: | 2021-03-01 | | Identifier: | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid |
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 | | DAF | | Name: | 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose | | Formula: | C13 H17 N O8 | | SMILES: | O=CC2=CC(NC1C(/OC(O)C(O)C1O)=C)C(O)C(O)C2=O | | InChi: | InChI=1S/C13H17NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2-3,6-7,9-14,17-21H,1H2/t6-,7+,9-,10-,11-,12+,13-/m0/s1 | | Synonyms: | 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enose | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose |
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 | | HFS | | Name: | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | | Formula: | C14 H17 N3 O3 S | | SMILES: | O=S(=O)(c2c1ccnc(O)c1ccc2)N3CCCNCC3 | | InChi: | InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18) | | Synonyms: | HYDROXYFASUDIL | | Definition date: | 2005-10-26 | | Last modified: | 2020-06-17 | | Identifier: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-ol |
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 | | N5P | | Name: | 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO
-1H-INDOLE | | Formula: | C13 H17 N2 O14 P3 | | SMILES: | [O-][N+](=O)c2cc1ccn(c1cc2)C3OC(C(O)C3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O | | InChi: | InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-5-9(15(17)18)1-2-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1 | | Synonyms: | 5-NITRO-1-INDOLYL-2'-DEOXYRIBOSIDE-5'-TRIPHOSPHATE | | Definition date: | 2007-03-21 | | Last modified: | 2020-06-17 | | Identifier: | 1-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-5-nitro-1H-indole |
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 | | LSA | | Name: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE | | Formula: | C7 H5 N O3 S | | SMILES: | O=C2c1ccccc1S(=O)(=O)N2 | | InChi: | InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) | | Synonyms: | SACCHARIN | | Definition date: | 2007-06-05 | | Last modified: | 2020-06-17 | | Identifier: | 1,2-benzisothiazol-3(2H)-one 1,1-dioxide |
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 | | MJD | | Name: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate | | Formula: | C33 H42 F2 N4 O8 S | | SMILES: | C12CC3COC1OCC2C3OC(=O)NC(Cc4cc(cc(c4)F)F)C(O)CN(CC(C)C)S(=O)(=O)c5cc6c(cc5)nc(o6)NC(C)C | | InChi: | InChI=1S/C33H42F2N4O8S/c1-17(2)13-39(48(42,43)23-5-6-26-29(12-23)46-32(37-26)36-18(3)4)14-28(40)27(9-19-7-21(34)11-22(35)8-19)38-33(41)47-30-20-10-24-25(30)16-45-31(24)44-15-20/h5-8,11-12,17-18,20,24-25,27-28,30-31,40H,9-10,13-16H2,1-4H3,(H,36,37)(H,38,41)/t20-,24-,25-,27+,28-,30+,31+/m1/s1 | | Definition date: | 2019-04-04 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate |
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 | | JLE | | Name: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid | | Formula: | C25 H22 N4 O2 S | | SMILES: | CCc1sc2ncnc(N[CH](Cc3ccccc3)C(O)=O)c2c1c4cccc5[nH]ccc45 | | InChi: | InChI=1S/C25H22N4O2S/c1-2-20-21(17-9-6-10-18-16(17)11-12-26-18)22-23(27-14-28-24(22)32-20)29-19(25(30)31)13-15-7-4-3-5-8-15/h3-12,14,19,26H,2,13H2,1H3,(H,30,31)(H,27,28,29)/t19-/m1/s1 | | Definition date: | 2019-03-09 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid |
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 | | B8C | | Name: | (~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid | | Formula: | C21 H25 N4 O15 P | | SMILES: | Cc1cc2N[C]3(OC(C(O)=O)=C(O)C(O)=O)C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C | | InChi: | InChI=1S/C21H25N4O15P/c1-7-3-9-10(4-8(7)2)25(5-11(26)13(28)12(27)6-39-41(36,37)38)18-21(24-9,19(34)23-20(35)22-18)40-15(17(32)33)14(29)16(30)31/h3-4,11-13,24,26-29H,5-6H2,1-2H3,(H,30,31)(H,32,33)(H,23,34,35)(H2,36,37,38)/b15-14+/t11-,12-,13-,21-/m0/s1 | | Definition date: | 2019-01-21 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | (~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid |
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 | | GWG | | Name: | 1-methylindazole-3-carboxamide | | Formula: | C9 H9 N3 O | | SMILES: | Cn1nc(C(N)=O)c2ccccc12 | | InChi: | InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-12)9(10)13/h2-5H,1H3,(H2,10,13) | | Definition date: | 2018-06-01 | | Last modified: | 2018-07-13 | | Release date: | 2018-07-18 | | Identifier: | 1-methylindazole-3-carboxamide |
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 | | 6RB | | Name: | 1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(phenylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide | | Formula: | C28 H30 N4 O3 | | SMILES: | COc1ccc(CN2CCc3n(CCO)nc(C(=O)NCc4ccccc4)c3C2)c5ccccc15 | | InChi: | InChI=1S/C28H30N4O3/c1-35-26-12-11-21(22-9-5-6-10-23(22)26)18-31-14-13-25-24(19-31)27(30-32(25)15-16-33)28(34)29-17-20-7-3-2-4-8-20/h2-12,33H,13-19H2,1H3,(H,29,34) | | Definition date: | 2016-06-07 | | Last modified: | 2017-03-03 | | Release date: | 2017-03-08 | | Identifier: | 1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(phenylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide |
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 | | 58E | | Name: | (5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile | | Formula: | C20 H22 N4 O | | SMILES: | OC=4C(C)C3CCc1c(nn(c1c2cccnc2)C)C3(C)CC=4C#N | | InChi: | InChI=1S/C20H22N4O/c1-12-16-7-6-15-17(13-5-4-8-22-11-13)24(3)23-19(15)20(16,2)9-14(10-21)18(12)25/h4-5,8,11-12,16,25H,6-7,9H2,1-3H3/t12-,16-,20-/m0/s1 | | Definition date: | 2015-08-20 | | Last modified: | 2016-08-05 | | Release date: | 2016-08-10 | | Identifier: | (5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile |
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