 | | PQF | | Name: | 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | | Formula: | C30 H32 F N5 O2 | | SMILES: | CC(C)(O)c1cc2n(c3cc(cnc3c2cc1F)c1c(C)nnn1C)C(C1CCOCC1)c1ccccc1 | | InChi: | InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | | Definition date: | 2022-05-29 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol |
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 | | N9U | | Name: | Roxifiban | | Formula: | C20 H27 N5 O6 | | SMILES: | O=C(O)C(NC(=O)OCCCC)CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(=N)N | | InChi: | InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1 | | Synonyms: | N-(butoxycarbonyl)-3-{2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamido}-L-alanine | | Definition date: | 2022-03-28 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | N-(butoxycarbonyl)-3-{2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamido}-L-alanine |
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 | | NB9 | | Name: | Lamifiban | | Formula: | C24 H28 N4 O6 | | SMILES: | O=C(C(Cc1ccc(O)cc1)NC(=O)c1ccc(cc1)C(=N)N)N1CCC(OCC(=O)O)CC1 | | InChi: | InChI=1S/C24H28N4O6/c25-22(26)16-3-5-17(6-4-16)23(32)27-20(13-15-1-7-18(29)8-2-15)24(33)28-11-9-19(10-12-28)34-14-21(30)31/h1-8,19-20,29H,9-14H2,(H3,25,26)(H,27,32)(H,30,31)/t20-/m0/s1 | | Synonyms: | ({1-[N-(4-carbamimidoylbenzoyl)-L-tyrosyl]piperidin-4-yl}oxy)acetic acid | | Definition date: | 2022-03-31 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | ({1-[N-(4-carbamimidoylbenzoyl)-L-tyrosyl]piperidin-4-yl}oxy)acetic acid |
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 | | V1Z | | Name: | 8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine | | Formula: | C19 H22 N4 O2 S | | SMILES: | Cc1cccn2cc(nc12)c3ccc(C)c(c3)[S](=O)(=O)N4CCNCC4 | | InChi: | InChI=1S/C19H22N4O2S/c1-14-5-6-16(17-13-22-9-3-4-15(2)19(22)21-17)12-18(14)26(24,25)23-10-7-20-8-11-23/h3-6,9,12-13,20H,7-8,10-11H2,1-2H3 | | Definition date: | 2021-04-06 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | 8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine |
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 | | T4L | | Name: | (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol | | Formula: | C19 H28 N8 O | | SMILES: | CC(C)c1cc(Nc2nc(NC(CO)C3CCCCC3)nc3[NH]ncc23)n[NH]1 | | InChi: | InChI=1S/C19H28N8O/c1-11(2)14-8-16(26-25-14)22-17-13-9-20-27-18(13)24-19(23-17)21-15(10-28)12-6-4-3-5-7-12/h8-9,11-12,15,28H,3-7,10H2,1-2H3,(H4,20,21,22,23,24,25,26,27)/t15-/m0/s1 | | Definition date: | 2022-07-18 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol |
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 | | R5R | | Name: | Zolpidem | | Formula: | C19 H21 N3 O | | SMILES: | CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c1ccc(C)cc1 | | InChi: | InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3 | | Definition date: | 2022-06-20 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | N,N-dimethyl-2-[(4S)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide |
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 | | R63 | | Name: | methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate | | Formula: | C17 H18 N2 O4 | | SMILES: | O=C(OC)c1ncc2[NH]c3cc(OC)c(OC)cc3c2c1CC | | InChi: | InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3 | | Definition date: | 2022-06-20 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate |
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 | | TMK | | Name: | (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide | | Formula: | C21 H21 Cl F4 N6 O5 | | SMILES: | Cc1cnc(OC)c(Cl)c1NC(=O)c1cc(F)c(nc1OC(C)C(F)(F)F)N1N=C(CO)N(CC)C1=O | | InChi: | InChI=1S/C21H21ClF4N6O5/c1-5-31-13(8-33)30-32(20(31)35)16-12(23)6-11(18(29-16)37-10(3)21(24,25)26)17(34)28-15-9(2)7-27-19(36-4)14(15)22/h6-7,10,33H,5,8H2,1-4H3,(H,27,28,34)/t10-/m0/s1 | | Definition date: | 2022-07-27 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide |
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 | | T6L | | Name: | (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide | | Formula: | C20 H17 Cl F5 N5 O4 | | SMILES: | Fc1cccc(Cl)c1NC(=O)c1cc(F)c(nc1OC(C)C(F)(F)F)N1N=C(CO)N(CC)C1=O | | InChi: | InChI=1S/C20H17ClF5N5O4/c1-3-30-14(8-32)29-31(19(30)34)16-13(23)7-10(18(28-16)35-9(2)20(24,25)26)17(33)27-15-11(21)5-4-6-12(15)22/h4-7,9,32H,3,8H2,1-2H3,(H,27,33)/t9-/m0/s1 | | Definition date: | 2022-07-19 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide |
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 | | T78 | | Name: | (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide | | Formula: | C20 H19 Cl F4 N6 O4 | | SMILES: | Cc1ccnc(Cl)c1NC(=O)c1cc(F)c(nc1OC(C)C(F)(F)F)N1N=C(CO)N(CC)C1=O | | InChi: | InChI=1S/C20H19ClF4N6O4/c1-4-30-13(8-32)29-31(19(30)34)16-12(22)7-11(18(28-16)35-10(3)20(23,24)25)17(33)27-14-9(2)5-6-26-15(14)21/h5-7,10,32H,4,8H2,1-3H3,(H,27,33)/t10-/m0/s1 | | Definition date: | 2022-07-19 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide |
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 | | NXF | | Name: | (2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile | | Formula: | C26 H22 N6 O2 S | | SMILES: | NCC1=NNC(=O)c2c1cc(cc2C1CCCO1)c1cnn(C)c1c1sc2ccccc2c1C#N | | InChi: | InChI=1S/C26H22N6O2S/c1-32-24(25-18(11-27)15-5-2-3-7-22(15)35-25)19(13-29-32)14-9-16-20(12-28)30-31-26(33)23(16)17(10-14)21-6-4-8-34-21/h2-3,5,7,9-10,13,21H,4,6,8,12,28H2,1H3,(H,31,33)/t21-/m1/s1 | | Definition date: | 2022-04-13 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | (2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile |
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 | | NJ9 | | Name: | 3-(4-{[(5S)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)propanoic acid | | Formula: | C18 H25 N5 O4 | | SMILES: | N=C(N)c1ccc(cc1)N1CC(CN2CCN(CCC(=O)O)CC2)OC1=O | | InChi: | InChI=1S/C18H25N5O4/c19-17(20)13-1-3-14(4-2-13)23-12-15(27-18(23)26)11-22-9-7-21(8-10-22)6-5-16(24)25/h1-4,15H,5-12H2,(H3,19,20)(H,24,25)/t15-/m0/s1 | | Definition date: | 2022-04-04 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | 3-(4-{[(5S)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)propanoic acid |
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 | | NJF | | Name: | (1-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperidin-4-yl)acetic acid | | Formula: | C18 H24 N4 O3 | | SMILES: | O=C(O)CC1CCN(CC1)CC1CC(=NO1)c1ccc(cc1)C(=N)N | | InChi: | InChI=1S/C18H24N4O3/c19-18(20)14-3-1-13(2-4-14)16-10-15(25-21-16)11-22-7-5-12(6-8-22)9-17(23)24/h1-4,12,15H,5-11H2,(H3,19,20)(H,23,24)/t15-/m0/s1 | | Definition date: | 2022-04-04 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | (1-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperidin-4-yl)acetic acid |
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 | | MV8 | | Name: | (4-{[(5R)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)acetic acid | | Formula: | C17 H23 N5 O4 | | SMILES: | N=C(N)c1ccc(cc1)N1CC(CN2CCN(CC(=O)O)CC2)OC1=O | | InChi: | InChI=1S/C17H23N5O4/c18-16(19)12-1-3-13(4-2-12)22-10-14(26-17(22)25)9-20-5-7-21(8-6-20)11-15(23)24/h1-4,14H,5-11H2,(H3,18,19)(H,23,24)/t14-/m1/s1 | | Definition date: | 2022-03-18 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | (4-{[(5R)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)acetic acid |
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 | | SKX | | Name: | 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide | | Formula: | C25 H25 F2 N5 O4 | | SMILES: | Fc1ccc(c(F)c1)C(O)(Cn1cncn1)CNC(=O)C1=Cc2ccc(cc2OC1=O)N(CC)CC | | InChi: | InChI=1S/C25H25F2N5O4/c1-3-31(4-2)18-7-5-16-9-19(24(34)36-22(16)11-18)23(33)29-12-25(35,13-32-15-28-14-30-32)20-8-6-17(26)10-21(20)27/h5-11,14-15,35H,3-4,12-13H2,1-2H3,(H,29,33)/t25-/m0/s1 | | Definition date: | 2022-07-07 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
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 | | MWI | | Name: | Lotrafiban | | Formula: | C23 H32 N4 O4 | | SMILES: | O=C(c1ccc2NC(CC(=O)O)C(=O)N(C)Cc2c1)N1CCC(CC1)C1CCNCC1 | | InChi: | InChI=1S/C23H32N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29)/t20-/m0/s1 | | Synonyms: | [(2S)-7-([4,4'-bipiperidine]-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid | | Definition date: | 2022-03-21 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | [(2S)-7-([4,4'-bipiperidine]-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid |
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 | | MWO | | Name: | (4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid | | Formula: | C15 H26 N4 O3 | | SMILES: | O=C(O)CN1CCN(CC1)CC1CC(=NO1)C1CCNCC1 | | InChi: | InChI=1S/C15H26N4O3/c20-15(21)11-19-7-5-18(6-8-19)10-13-9-14(17-22-13)12-1-3-16-4-2-12/h12-13,16H,1-11H2,(H,20,21)/t13-/m0/s1 | | Definition date: | 2022-03-21 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | (4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid |
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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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 | | MJX | | Name: | {4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl}acetic acid | | Formula: | C18 H27 N5 O2 | | SMILES: | N=C(N)c1ccc(cc1)N1CCN(CC1)C1CCN(CC(=O)O)CC1 | | InChi: | InChI=1S/C18H27N5O2/c19-18(20)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-21(8-6-16)13-17(24)25/h1-4,16H,5-13H2,(H3,19,20)(H,24,25) | | Definition date: | 2022-03-16 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | {4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl}acetic acid |
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 | | M6K | | Name: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid | | Formula: | C17 H23 N5 O3 | | SMILES: | O=C(O)CN1CCN(CC1)CC1CC(=NO1)c1ccc(cc1)C(=N)N | | InChi: | InChI=1S/C17H23N5O3/c18-17(19)13-3-1-12(2-4-13)15-9-14(25-20-15)10-21-5-7-22(8-6-21)11-16(23)24/h1-4,14H,5-11H2,(H3,18,19)(H,23,24)/t14-/m0/s1 | | Definition date: | 2022-03-14 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid |
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 | | GGU | | Name: | 2-(6-amino-5-phenylpyridazin-3-yl)phenol | | Formula: | C16 H13 N3 O | | SMILES: | Oc1ccccc1c1cc(c(N)nn1)c1ccccc1 | | InChi: | InChI=1S/C16H13N3O/c17-16-13(11-6-2-1-3-7-11)10-14(18-19-16)12-8-4-5-9-15(12)20/h1-10,20H,(H2,17,19) | | Definition date: | 2021-12-21 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | 2-(6-amino-5-phenylpyridazin-3-yl)phenol |
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 | | HOI | | Name: | ~{N}-[4-[[2-methoxy-5-[(2~{S})-5-oxidanyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]ethanamide | | Formula: | C31 H29 N3 O5 | | SMILES: | COc1ccc(cc1COc2ccc(NC(C)=O)cc2)[CH]3Nc4cccc(O)c4C(=O)N3Cc5ccccc5 | | InChi: | InChI=1S/C31H29N3O5/c1-20(35)32-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-33-26-9-6-10-27(36)29(26)31(37)34(30)18-21-7-4-3-5-8-21/h3-17,30,33,36H,18-19H2,1-2H3,(H,32,35)/t30-/m0/s1 | | Definition date: | 2022-05-26 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | ~{N}-[4-[[2-methoxy-5-[(2~{S})-5-oxidanyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]ethanamide |
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 | | I1F | | Name: | {5-[N-(4-carbamimidoylbenzoyl)-4-nitro-L-phenylalanyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-2-yl}acetic acid | | Formula: | C25 H25 N7 O6 | | SMILES: | N=C(N)c1ccc(cc1)C(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1Cc2cn(nc2CC1)CC(=O)O | | InChi: | InChI=1S/C25H25N7O6/c26-23(27)16-3-5-17(6-4-16)24(35)28-21(11-15-1-7-19(8-2-15)32(37)38)25(36)30-10-9-20-18(12-30)13-31(29-20)14-22(33)34/h1-8,13,21H,9-12,14H2,(H3,26,27)(H,28,35)(H,33,34)/t21-/m0/s1 | | Definition date: | 2022-01-05 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | {5-[N-(4-carbamimidoylbenzoyl)-4-nitro-L-phenylalanyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-2-yl}acetic acid |
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 | | I7R | | Name: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid | | Formula: | C22 H32 N6 O3 | | SMILES: | O=C(O)CN1CCN(CC1)CC1CC(=NO1)c1ccc(cc1)C(=N)N1CCN(C)CC1 | | InChi: | InChI=1S/C22H32N6O3/c1-25-6-12-28(13-7-25)22(23)18-4-2-17(3-5-18)20-14-19(31-24-20)15-26-8-10-27(11-9-26)16-21(29)30/h2-5,19,23H,6-16H2,1H3,(H,29,30)/b23-22+/t19-/m0/s1 | | Definition date: | 2022-01-21 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid |
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 | | IR7 | | Name: | (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid | | Formula: | C19 H25 N3 O5 | | SMILES: | O=C(O)COc1ccc(cc1)C(=O)CN1CCN(CC1=O)C1CCNCC1 | | InChi: | InChI=1S/C19H25N3O5/c23-17(14-1-3-16(4-2-14)27-13-19(25)26)11-22-10-9-21(12-18(22)24)15-5-7-20-8-6-15/h1-4,15,20H,5-13H2,(H,25,26) | | Definition date: | 2022-01-26 | | Last modified: | 2022-08-12 | | Release date: | 2022-08-17 | | Identifier: | (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid |
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