 | | XH3 | | Name: | 3-[(3-hydroxyphenyl)amino]quinoxaline-2-carboxylic acid | | Formula: | C15 H11 N3 O3 | | SMILES: | OC(=O)c1nc2ccccc2nc1Nc3cccc(O)c3 | | InChi: | InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21) | | Definition date: | 2023-11-01 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 3-[(3-hydroxyphenyl)amino]quinoxaline-2-carboxylic acid |
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 | | XHI | | Name: | 6-bromanyl-1,3-benzoxazol-2-amine | | Formula: | C7 H5 Br N2 O | | SMILES: | Nc1oc2cc(Br)ccc2n1 | | InChi: | InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10) | | Definition date: | 2023-11-02 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 6-bromanyl-1,3-benzoxazol-2-amine |
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 | | XIW | | Name: | 4-(5-(4-aminophenyl)-2H-1,2,3-triazol-4-yl)benzoic acid | | Formula: | C15 H12 N4 O2 | | SMILES: | Nc1ccc(cc1)c2n[nH]nc2c3ccc(cc3)C(O)=O | | InChi: | InChI=1S/C15H12N4O2/c16-12-7-5-10(6-8-12)14-13(17-19-18-14)9-1-3-11(4-2-9)15(20)21/h1-8H,16H2,(H,20,21)(H,17,18,19) | | Synonyms: | 4-[5-(4-aminophenyl)-2H-1,2,3-triazol-4-yl]benzoic acid | | Definition date: | 2023-11-02 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 4-[5-(4-aminophenyl)-2~{H}-1,2,3-triazol-4-yl]benzoic acid |
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 | | XJL | | Name: | 4-(5-(4-aminophenyl)-1H-pyrazol-1-yl)benzoic acid | | Formula: | C16 H13 N3 O2 | | SMILES: | Nc1ccc(cc1)c2ccnn2c3ccc(cc3)C(O)=O | | InChi: | InChI=1S/C16H13N3O2/c17-13-5-1-11(2-6-13)15-9-10-18-19(15)14-7-3-12(4-8-14)16(20)21/h1-10H,17H2,(H,20,21) | | Synonyms: | 4-[5-(4-aminophenyl)pyrazol-1-yl]benzoic acid | | Definition date: | 2023-11-03 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 4-[5-(4-aminophenyl)pyrazol-1-yl]benzoic acid |
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 | | XJW | | Name: | 4-[(~{Z})-1-cyanoprop-1-enyl]benzoic acid | | Formula: | C11 H9 N O2 | | SMILES: | CC=C(C#N)c1ccc(cc1)C(O)=O | | InChi: | InChI=1S/C11H9NO2/c1-2-8(7-12)9-3-5-10(6-4-9)11(13)14/h2-6H,1H3,(H,13,14) | | Definition date: | 2023-11-03 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 4-[(~{Z})-1-cyanoprop-1-enyl]benzoic acid |
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 | | XNF | | Name: | 4-[[(~{S})-dimethoxyphosphoryl-[4-[(~{S})-dimethoxyphosphoryl-[(4-sulfamoylphenyl)amino]methyl]phenyl]methyl]amino]benzenesulfonamide | | Formula: | C24 H32 N4 O10 P2 S2 | | SMILES: | CO[P](=O)(OC)[CH](Nc1ccc(cc1)[S](N)(=O)=O)c2ccc(cc2)[CH](Nc3ccc(cc3)[S](N)(=O)=O)[P](=O)(OC)OC | | InChi: | InChI=1S/C24H32N4O10P2S2/c1-35-39(29,36-2)23(27-19-9-13-21(14-10-19)41(25,31)32)17-5-7-18(8-6-17)24(40(30,37-3)38-4)28-20-11-15-22(16-12-20)42(26,33)34/h5-16,23-24,27-28H,1-4H3,(H2,25,31,32)(H2,26,33,34)/t23-,24+ | | Definition date: | 2023-11-06 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 4-[[(~{S})-dimethoxyphosphoryl-[4-[(~{S})-dimethoxyphosphoryl-[(4-sulfamoylphenyl)amino]methyl]phenyl]methyl]amino]benzenesulfonamide |
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 | | XPI | | Name: | 4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide | | Formula: | C19 H20 N2 O7 S | | SMILES: | COc1cc(OC)c(cc1OC)[CH]2OC(=O)C(=C2)Nc3ccc(cc3)[S](N)(=O)=O | | InChi: | InChI=1S/C19H20N2O7S/c1-25-15-10-18(27-3)17(26-2)8-13(15)16-9-14(19(22)28-16)21-11-4-6-12(7-5-11)29(20,23)24/h4-10,16,21H,1-3H3,(H2,20,23,24)/t16-/m1/s1 | | Definition date: | 2023-11-07 | | Last modified: | 2024-11-08 | | Release date: | 2024-11-13 | | Identifier: | 4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide |
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 | | IEU | | Name: | 6-chloro-2-{[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}-4-(morpholin-4-yl)quinazoline | | Formula: | C23 H22 Cl N5 O2 | | SMILES: | Cn1cc(nc1COc1nc(N2CCOCC2)c2cc(Cl)ccc2n1)c1ccccc1 | | InChi: | InChI=1S/C23H22ClN5O2/c1-28-14-20(16-5-3-2-4-6-16)25-21(28)15-31-23-26-19-8-7-17(24)13-18(19)22(27-23)29-9-11-30-12-10-29/h2-8,13-14H,9-12,15H2,1H3 | | Definition date: | 2022-01-25 | | Last modified: | 2024-11-07 | | Release date: | 2022-10-12 | | Identifier: | 6-chloro-2-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)quinazoline |
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 | | YMZ | | Name: | (11R,12S)- Mefloquine | | Formula: | C17 H16 F6 N2 O | | SMILES: | O[CH]([CH]1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F | | InChi: | InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1 | | Definition date: | 2017-01-30 | | Last modified: | 2024-11-05 | | Release date: | 2017-03-01 | | Identifier: | (~{R})-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2~{S})-piperidin-2-yl]methanol |
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 | | A1D8A | | Name: | [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[(2S,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate | | Formula: | C15 H24 N5 O17 P3 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O | | InChi: | InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(9(22)6(34-14)2-33-40(30,31)37-39(27,28)29)36-15-10(23)8(21)5(35-15)1-32-38(24,25)26/h3-6,8-11,14-15,21-23H,1-2H2,(H,30,31)(H2,16,17,18)(H2,24,25,26)(H2,27,28,29)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1 | | Definition date: | 2024-05-15 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate |
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 | | A1EEB | | Name: | 6-fluoranyl-1,2-benzothiazol-3-one | | Formula: | C7 H4 F N O S | | SMILES: | Fc1ccc2C(=O)NSc2c1 | | InChi: | InChI=1S/C7H4FNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10) | | Definition date: | 2024-10-18 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 6-fluoranyl-1,2-benzothiazol-3-one |
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 | | A1II2 | | Name: | 4-[[(5-bromanylpyridin-3-yl)methylamino]methyl]aniline | | Formula: | C13 H14 Br N3 | | SMILES: | Nc1ccc(CNCc2cncc(Br)c2)cc1 | | InChi: | InChI=1S/C13H14BrN3/c14-12-5-11(8-17-9-12)7-16-6-10-1-3-13(15)4-2-10/h1-5,8-9,16H,6-7,15H2 | | Definition date: | 2024-07-27 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 4-[[(5-bromanylpyridin-3-yl)methylamino]methyl]aniline |
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 | | A1IKR | | Name: | tris(oxidanyl)-[(~{E})-2-phenylethenyl]boron | | Formula: | C8 H10 B O3 | | SMILES: | O[B](O)(O)C=Cc1ccccc1 | | InChi: | InChI=1S/C8H10BO3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-7,10-12H/b7-6+ | | Definition date: | 2024-08-12 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | tris(oxidanyl)-[(~{E})-2-phenylethenyl]boron |
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 | | A1H5R | | Name: | ~{N}-(2-ethylphenyl)-~{N},1-dimethyl-imidazo[4,5-c]pyridin-6-amine | | Formula: | C16 H18 N4 | | SMILES: | CCc1ccccc1N(C)c2cc3n(C)cnc3cn2 | | InChi: | InChI=1S/C16H18N4/c1-4-12-7-5-6-8-14(12)20(3)16-9-15-13(10-17-16)18-11-19(15)2/h5-11H,4H2,1-3H3 | | Definition date: | 2024-03-07 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | ~{N}-(2-ethylphenyl)-~{N},1-dimethyl-imidazo[4,5-c]pyridin-6-amine |
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 | | A1H6Y | | Name: | 1-bromanyl-4-methylsulfonyl-benzene | | Formula: | C7 H7 Br O2 S | | SMILES: | C[S](=O)(=O)c1ccc(Br)cc1 | | InChi: | InChI=1S/C7H7BrO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3 | | Definition date: | 2024-03-27 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 1-bromanyl-4-methylsulfonyl-benzene |
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 | | A1ICO | | Name: | 7-methyl-3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one | | Formula: | C34 H37 N7 O3 S | | SMILES: | Cn1ccc2C(=O)N(CC3(O)CCN(CC3)C(=O)[CH]4CCN(C[CH]4c5ccccc5)Cc6sc(cn6)c7ccncc7)C=Nc12 | | InChi: | InChI=1S/C34H37N7O3S/c1-38-15-9-27-31(38)37-23-41(33(27)43)22-34(44)11-17-40(18-12-34)32(42)26-10-16-39(20-28(26)24-5-3-2-4-6-24)21-30-36-19-29(45-30)25-7-13-35-14-8-25/h2-9,13-15,19,23,26,28,44H,10-12,16-18,20-22H2,1H3/t26-,28+/m1/s1 | | Definition date: | 2024-06-03 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 7-methyl-3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one |
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 | | A1ICU | | Name: | 3-[[4-oxidanyl-1-[(1~{R},2~{R})-2-phenylcyclohexyl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one | | Formula: | C27 H31 N3 O3 | | SMILES: | OC1(CCN(CC1)C(=O)[CH]2CCCC[CH]2c3ccccc3)CN4C=Nc5ccccc5C4=O | | InChi: | InChI=1S/C27H31N3O3/c31-25(22-11-5-4-10-21(22)20-8-2-1-3-9-20)29-16-14-27(33,15-17-29)18-30-19-28-24-13-7-6-12-23(24)26(30)32/h1-3,6-9,12-13,19,21-22,33H,4-5,10-11,14-18H2/t21-,22+/m0/s1 | | Definition date: | 2024-06-04 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 3-[[4-oxidanyl-1-[(1~{R},2~{R})-2-phenylcyclohexyl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one |
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 | | A1ICV | | Name: | 3-[[4-oxidanyl-1-[(3~{S},4~{S})-3-phenyl-1-(phenylmethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one | | Formula: | C33 H36 N4 O3 | | SMILES: | OC1(CCN(CC1)C(=O)[CH]2CCN(C[CH]2c3ccccc3)Cc4ccccc4)CN5C=Nc6ccccc6C5=O | | InChi: | InChI=1S/C33H36N4O3/c38-31(27-15-18-35(21-25-9-3-1-4-10-25)22-29(27)26-11-5-2-6-12-26)36-19-16-33(40,17-20-36)23-37-24-34-30-14-8-7-13-28(30)32(37)39/h1-14,24,27,29,40H,15-23H2/t27-,29+/m0/s1 | | Definition date: | 2024-06-04 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 3-[[4-oxidanyl-1-[(3~{S},4~{S})-3-phenyl-1-(phenylmethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one |
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 | | A1ICW | | Name: | 3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-(2-phenylethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one | | Formula: | C34 H38 N4 O3 | | SMILES: | OC1(CCN(CC1)C(=O)[CH]2CCN(CCc3ccccc3)C[CH]2c4ccccc4)CN5C=Nc6ccccc6C5=O | | InChi: | InChI=1S/C34H38N4O3/c39-32(37-21-17-34(41,18-22-37)24-38-25-35-31-14-8-7-13-29(31)33(38)40)28-16-20-36(19-15-26-9-3-1-4-10-26)23-30(28)27-11-5-2-6-12-27/h1-14,25,28,30,41H,15-24H2/t28-,30+/m1/s1 | | Definition date: | 2024-06-04 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 3-[[4-oxidanyl-1-[(3~{R},4~{R})-3-phenyl-1-(2-phenylethyl)piperidin-4-yl]carbonyl-piperidin-4-yl]methyl]quinazolin-4-one |
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 | | A1ICX | | Name: | 3-[[1-[(3~{R},4~{R})-1-[5-(3-methoxypyridin-4-yl)thiophen-2-yl]carbonyl-3-phenyl-piperidin-4-yl]carbonyl-4-oxidanyl-piperidin-4-yl]methyl]-7-methyl-pyrrolo[2,3-d]pyrimidin-4-one | | Formula: | C36 H38 N6 O5 S | | SMILES: | COc1cnccc1c2sc(cc2)C(=O)N3CC[CH]([CH](C3)c4ccccc4)C(=O)N5CCC(O)(CC5)CN6C=Nc7n(C)ccc7C6=O | | InChi: | InChI=1S/C36H38N6O5S/c1-39-16-11-27-32(39)38-23-42(34(27)44)22-36(46)13-18-40(19-14-36)33(43)25-12-17-41(21-28(25)24-6-4-3-5-7-24)35(45)31-9-8-30(48-31)26-10-15-37-20-29(26)47-2/h3-11,15-16,20,23,25,28,46H,12-14,17-19,21-22H2,1-2H3/t25-,28+/m1/s1 | | Definition date: | 2024-06-04 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 3-[[1-[(3~{R},4~{R})-1-[5-(3-methoxypyridin-4-yl)thiophen-2-yl]carbonyl-3-phenyl-piperidin-4-yl]carbonyl-4-oxidanyl-piperidin-4-yl]methyl]-7-methyl-pyrrolo[2,3-d]pyrimidin-4-one |
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 | | A1IDR | | Name: | 6-(dimethylamino)-~{N}-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide | | Formula: | C23 H20 N2 O4 S | | SMILES: | CN(C)c1ccc2cc(oc2c1)C(=O)N[S](=O)(=O)c3ccccc3c4ccccc4 | | InChi: | InChI=1S/C23H20N2O4S/c1-25(2)18-13-12-17-14-21(29-20(17)15-18)23(26)24-30(27,28)22-11-7-6-10-19(22)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,24,26) | | Definition date: | 2024-06-06 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | 6-(dimethylamino)-~{N}-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide |
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 | | A1BBA | | Name: | (1R)-1-(2-amino-8-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol | | Formula: | C14 H18 N3 O7 P | | SMILES: | OP(=O)(O)OCC1OC(CC1O)c1cc(C)c2N=C(N)NC(=O)c2c1 | | InChi: | InChI=1S/C14H18N3O7P/c1-6-2-7(3-8-12(6)16-14(15)17-13(8)19)10-4-9(18)11(24-10)5-23-25(20,21)22/h2-3,9-11,18H,4-5H2,1H3,(H2,20,21,22)(H3,15,16,17,19)/t9-,10+,11+/m0/s1 | | Definition date: | 2024-09-29 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | (1R)-1-(2-amino-8-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol |
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 | | A1BEM | | Name: | N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide | | Formula: | C13 H20 N4 O | | SMILES: | CN1CCN(CC1)c1ncccc1C(=O)NCC | | InChi: | InChI=1S/C13H20N4O/c1-3-14-13(18)11-5-4-6-15-12(11)17-9-7-16(2)8-10-17/h4-6H,3,7-10H2,1-2H3,(H,14,18) | | Synonyms: | ~{N}6-(4-methylpyridin-2-yl)-~{N}2-(2-morpholin-4-ylethyl)-3-nitro-pyridine-2,6-diamine | | Definition date: | 2024-10-30 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide |
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 | | A1L3V | | Name: | (7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7~{H}-tetracene-5,12-dione | | Formula: | C27 H31 N O9 | | SMILES: | CC[C]1(O)C[CH](O[CH]2C[CH](N)[CH](O)[CH](C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1 | | InChi: | InChI=1S/C27H31NO9/c1-4-27(34)9-13-19(16(10-27)37-17-8-14(28)22(29)11(2)36-17)26(33)21-20(24(13)31)23(30)12-6-5-7-15(35-3)18(12)25(21)32/h5-7,11,14,16-17,22,29,31,33-34H,4,8-10,28H2,1-3H3/t11-,14-,16-,17-,22+,27-/m0/s1 | | Definition date: | 2024-08-21 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | (7~{S},9~{S})-7-[(2~{R},4~{S},5~{S},6~{S})-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7~{H}-tetracene-5,12-dione |
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 | | A1BAF | | Name: | N-{(1P)-5'-({(32E)-33-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-31-oxo-3,6,9,12,15,18,21,24,27-nonaoxa-30-azatritriacont-32-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide | | Formula: | C70 H83 Cl2 F6 N9 O15 | | SMILES: | Clc1ccc(c(F)c1)c1c(c[NH]c1/C=C/C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1cc(c(F)cc1)c1ccc(N2CC(C)N(C)C(C)C2)c(NC(=O)C2=CNC(=O)C=C2C(F)(F)F)c1)C(=O)NC(CC(=O)N)c1ccc(F)c(Cl)c1 | | InChi: | InChI=1S/C70H83Cl2F6N9O15/c1-44-42-87(43-45(2)86(44)3)62-12-6-46(36-61(62)85-68(92)52-40-83-65(90)38-54(52)70(76,77)78)51-34-48(5-9-56(51)73)67(91)81-15-17-95-19-21-97-23-25-99-27-29-101-31-33-102-32-30-100-28-26-98-24-22-96-20-18-94-16-14-80-64(89)13-11-59-66(50-8-7-49(71)37-58(50)75)53(41-82-59)69(93)84-60(39-63(79)88)47-4-10-57(74)55(72)35-47/h4-13,34-38,40-41,44-45,60,82H,14-33,39,42-43H2,1-3H3,(H2,79,88)(H,80,89)(H,81,91)(H,83,90)(H,84,93)(H,85,92)/b13-11+/t44-,45+,60-/m0/s1 | | Synonyms: | OICR-41114 | | Definition date: | 2024-09-25 | | Last modified: | 2024-11-01 | | Release date: | 2024-11-06 | | Identifier: | N-{(1P)-5'-({(32E)-33-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-31-oxo-3,6,9,12,15,18,21,24,27-nonaoxa-30-azatritriacont-32-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide |
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