 | | UFI | | Name: | 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione | | Formula: | C13 H9 N O4 | | SMILES: | COc1ccc2C(=O)N(O)C(=O)c3cccc1c23 | | InChi: | InChI=1S/C13H9NO4/c1-18-10-6-5-9-11-7(10)3-2-4-8(11)12(15)14(17)13(9)16/h2-6,17H,1H3 | | Definition date: | 2023-02-03 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione |
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 | | YLI | | Name: | (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | | Formula: | C18 H17 Br N2 O2 S | | SMILES: | NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(Br)cc1 | | InChi: | InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)/t14-,15+,18+/m0/s1 | | Definition date: | 2023-12-05 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
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 | | YLR | | Name: | (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | | Formula: | C22 H20 N2 O2 S | | SMILES: | NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc2ccccc21 | | InChi: | InChI=1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)/t17-,19+,22+/m0/s1 | | Definition date: | 2023-12-05 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
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 | | YME | | Name: | (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid | | Formula: | C16 H10 Cl N O3 | | SMILES: | O=C(O)c1cc(nc2c(Cl)cccc12)c1ccccc1O | | InChi: | InChI=1S/C16H10ClNO3/c17-12-6-3-5-9-11(16(20)21)8-13(18-15(9)12)10-4-1-2-7-14(10)19/h1-8,19H,(H,20,21) | | Definition date: | 2023-02-09 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid |
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 | | YO6 | | Name: | [2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid | | Formula: | C11 H9 F N2 O2 S | | SMILES: | O=C(O)Cc1csc(Nc2ccc(F)cc2)n1 | | InChi: | InChI=1S/C11H9FN2O2S/c12-7-1-3-8(4-2-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16) | | Definition date: | 2023-02-13 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | [2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid |
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 | | YP3 | | Name: | 5-bromo-2-hydroxy-N-[(quinolin-6-yl)methyl]benzamide | | Formula: | C17 H13 Br N2 O2 | | SMILES: | Brc1cc(c(O)cc1)C(=O)NCc1ccc2ncccc2c1 | | InChi: | InChI=1S/C17H13BrN2O2/c18-13-4-6-16(21)14(9-13)17(22)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-9,21H,10H2,(H,20,22) | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 5-bromo-2-hydroxy-N-[(quinolin-6-yl)methyl]benzamide |
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 | | YQ8 | | Name: | 4-(4-chlorophenyl)-7,8-dimethoxy-5-methyl-4H-pyrido[2,3,4-de]quinazoline | | Formula: | C19 H16 Cl N3 O2 | | SMILES: | Clc1ccc(cc1)N1C(C)=Cc2c(OC)c(cc3ncnc1c32)OC | | InChi: | InChI=1S/C19H16ClN3O2/c1-11-8-14-17-15(9-16(24-2)18(14)25-3)21-10-22-19(17)23(11)13-6-4-12(20)5-7-13/h4-10H,1-3H3 | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 4-(4-chlorophenyl)-7,8-dimethoxy-5-methyl-4H-pyrido[2,3,4-de]quinazoline |
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 | | YQL | | Name: | (6M)-6-(2-chloro-4-methylphenyl)-2-[(morpholin-4-yl)methyl]-1H-benzimidazole-4-carboxylic acid | | Formula: | C20 H20 Cl N3 O3 | | SMILES: | O=C(O)c1cc(cc2[NH]c(CN3CCOCC3)nc12)c1ccc(C)cc1Cl | | InChi: | InChI=1S/C20H20ClN3O3/c1-12-2-3-14(16(21)8-12)13-9-15(20(25)26)19-17(10-13)22-18(23-19)11-24-4-6-27-7-5-24/h2-3,8-10H,4-7,11H2,1H3,(H,22,23)(H,25,26) | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (6M)-6-(2-chloro-4-methylphenyl)-2-[(morpholin-4-yl)methyl]-1H-benzimidazole-4-carboxylic acid |
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 | | YQQ | | Name: | (2-{3-[(5-bromo-2-hydroxybenzamido)methyl]anilino}-1,3-thiazol-4-yl)acetic acid | | Formula: | C19 H16 Br N3 O4 S | | SMILES: | Brc1cc(c(O)cc1)C(=O)NCc1cc(ccc1)Nc1nc(cs1)CC(=O)O | | InChi: | InChI=1S/C19H16BrN3O4S/c20-12-4-5-16(24)15(7-12)18(27)21-9-11-2-1-3-13(6-11)22-19-23-14(10-28-19)8-17(25)26/h1-7,10,24H,8-9H2,(H,21,27)(H,22,23)(H,25,26) | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (2-{3-[(5-bromo-2-hydroxybenzamido)methyl]anilino}-1,3-thiazol-4-yl)acetic acid |
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 | | YSQ | | Name: | 4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium) | | Formula: | C29 H25 N7 O2 | | SMILES: | O=C(N/N=C/c1cc[n+](C)c2ccccc21)c1cccc(n1)C(=O)N/N=C/c1cc[n+](C)c2ccccc21 | | InChi: | InChI=1S/C29H23N7O2/c1-35-16-14-20(22-8-3-5-12-26(22)35)18-30-33-28(37)24-10-7-11-25(32-24)29(38)34-31-19-21-15-17-36(2)27-13-6-4-9-23(21)27/h3-19H,1-2H3/p+2 | | Definition date: | 2023-02-17 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | 4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium) |
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 | | XZE | | Name: | (pyridin-2-yl)(quinolin-2-yl)methanone | | Formula: | C15 H10 N2 O | | SMILES: | O=C(c1ccc2ccccc2n1)c1ccccn1 | | InChi: | InChI=1S/C15H10N2O/c18-15(13-7-3-4-10-16-13)14-9-8-11-5-1-2-6-12(11)17-14/h1-10H | | Definition date: | 2023-11-14 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | (pyridin-2-yl)(quinolin-2-yl)methanone |
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 | | ZFW | | Name: | 4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine | | Formula: | C25 H34 Cl N5 O7 | | SMILES: | CC(C)Oc1cc(c(C)cc1Nc1nc(N)c(Cl)cn1)C1CCN(CC1)C1OC(C(O)C(O)C1O)C(=O)O | | InChi: | InChI=1S/C25H34ClN5O7/c1-11(2)37-17-9-14(12(3)8-16(17)29-25-28-10-15(26)22(27)30-25)13-4-6-31(7-5-13)23-20(34)18(32)19(33)21(38-23)24(35)36/h8-11,13,18-21,23,32-34H,4-7H2,1-3H3,(H,35,36)(H3,27,28,29,30)/t18-,19-,20+,21-,23+/m0/s1 | | Definition date: | 2023-03-09 | | Last modified: | 2024-02-09 | | Release date: | 2024-02-14 | | Identifier: | 4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine |
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 | | VJX | | Name: | Rebamipide | | Formula: | C19 H15 Cl N2 O4 | | SMILES: | Clc1ccc(cc1)C(=O)NC(CC1=CC(=O)Nc2ccccc21)C(=O)O | | InChi: | InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)/t16-/m0/s1 | | Synonyms: | N-(4-chlorobenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine | | Definition date: | 2023-09-13 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | N-(4-chlorobenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine |
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 | | WKF | | Name: | 4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide | | Formula: | C35 H39 N7 O3 S | | SMILES: | O=C1N[CH]2CS[CH](CCCCNC3CCC(CC3)(C(=O)Nc4cccc5cccnc45)C(=O)Nc6cccc7cccnc67)[CH]2N1 | | InChi: | InChI=1S/C35H39N7O3S/c43-32(39-25-11-3-7-22-9-5-19-37-29(22)25)35(33(44)40-26-12-4-8-23-10-6-20-38-30(23)26)16-14-24(15-17-35)36-18-2-1-13-28-31-27(21-46-28)41-34(45)42-31/h3-12,19-20,24,27-28,31,36H,1-2,13-18,21H2,(H,39,43)(H,40,44)(H2,41,42,45)/t27-,28-,31-/m0/s1 | | Definition date: | 2023-10-06 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | 4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide |
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 | | XJ9 | | Name: | 1-[6,7-bis(chloranyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone | | Formula: | C17 H16 Cl2 N2 O | | SMILES: | Cc1cncc(CC(=O)N2CCc3cc(Cl)c(Cl)cc3C2)c1 | | InChi: | InChI=1S/C17H16Cl2N2O/c1-11-4-12(9-20-8-11)5-17(22)21-3-2-13-6-15(18)16(19)7-14(13)10-21/h4,6-9H,2-3,5,10H2,1H3 | | Definition date: | 2023-11-02 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | 1-[6,7-bis(chloranyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone |
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 | | X5W | | Name: | [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron | | Formula: | C27 H25 B N3 O6 | | SMILES: | COc1ccc2c(OC)cc(nc2c1)C(=O)Nc3cc(cc(c3)C(=O)N(C)Cc4ccccc4)[B](O)=O | | InChi: | InChI=1S/C27H25BN3O6/c1-31(16-17-7-5-4-6-8-17)27(33)18-11-19(28(34)35)13-20(12-18)29-26(32)24-15-25(37-3)22-10-9-21(36-2)14-23(22)30-24/h4-15,34H,16H2,1-3H3,(H,29,32) | | Definition date: | 2023-06-02 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron |
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 | | VXE | | Name: | N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine | | Formula: | C21 H20 N2 O4 | | SMILES: | CCc1ccc(cc1)C(=O)NC(CC1=CC(=O)Nc2ccccc21)C(=O)O | | InChi: | InChI=1S/C21H20N2O4/c1-2-13-7-9-14(10-8-13)20(25)23-18(21(26)27)11-15-12-19(24)22-17-6-4-3-5-16(15)17/h3-10,12,18H,2,11H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t18-/m0/s1 | | Definition date: | 2023-09-19 | | Last modified: | 2024-02-02 | | Release date: | 2024-02-07 | | Identifier: | N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine |
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 | | YCB | | Name: | ~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine | | Formula: | C25 H34 N6 | | SMILES: | CN(C)CCCNc1nc(NCC2CCNCC2)c3cc(ccc3n1)c4ccccc4 | | InChi: | InChI=1S/C25H34N6/c1-31(2)16-6-13-27-25-29-23-10-9-21(20-7-4-3-5-8-20)17-22(23)24(30-25)28-18-19-11-14-26-15-12-19/h3-5,7-10,17,19,26H,6,11-16,18H2,1-2H3,(H2,27,28,29,30) | | Definition date: | 2023-06-13 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | ~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine |
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 | | YXJ | | Name: | 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide | | Formula: | C21 H28 N6 O | | SMILES: | NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCCCC1 | | InChi: | InChI=1S/C21H28N6O/c22-20(28)19-21(26-18(14-24-19)27-12-2-1-3-13-27)25-17-6-4-15(5-7-17)16-8-10-23-11-9-16/h4-7,14,16,23H,1-3,8-13H2,(H2,22,28)(H,25,26) | | Definition date: | 2023-03-03 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide |
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 | | ZLT | | Name: | ~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide | | Formula: | C10 H12 N2 O3 S | | SMILES: | O=C(NC(=S)N1CCOCC1)c2occc2 | | InChi: | InChI=1S/C10H12N2O3S/c13-9(8-2-1-5-15-8)11-10(16)12-3-6-14-7-4-12/h1-2,5H,3-4,6-7H2,(H,11,13,16) | | Definition date: | 2023-06-28 | | Last modified: | 2024-01-26 | | Release date: | 2024-01-31 | | Identifier: | ~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide |
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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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 | | 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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 | | 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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