| TVE | Name: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid | Formula: | C22 H27 N3 O7 S | SMILES: | C[CH](O)[CH](C=O)C1=N[CH]([CH](SC2CNC(C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O | InChi: | InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-16,18-19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14?,15-,16?,18-,19-/m1/s1 | Definition date: | 2021-01-13 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (2~{S},3~{R},4~{R})-3-[(5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid |
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| X0Y | Name: | 1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione | Formula: | C8 H9 N3 O2 | SMILES: | C1(N(C(=O)N(c2c1cnc2)C)C)=O | InChi: | InChI=1S/C8H9N3O2/c1-10-6-4-9-3-5(6)7(12)11(2)8(10)13/h3-4,9H,1-2H3 | Definition date: | 2020-11-20 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
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| YWJ | Name: | 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | Formula: | C25 H34 N4 O5 | SMILES: | COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCNC1=O)C(C)=O | InChi: | InChI=1S/C25H34N4O5/c1-14(2)11-20(24(32)28-19(15(3)30)12-16-7-6-10-26-23(16)31)29-25(33)21-13-17-18(27-21)8-5-9-22(17)34-4/h5,8-9,13-14,16,19-20,27H,6-7,10-12H2,1-4H3,(H,26,31)(H,28,32)(H,29,33)/t16-,19-,20-/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide |
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| V91 | Name: | N-(5-{3-[(2S)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-L-prolinamide | Formula: | C16 H18 N4 O2 S2 | SMILES: | C(C1CCCN1)(Nc4ccc(C(N2CC(C2)c3nccs3)=O)s4)=O | InChi: | InChI=1S/C16H18N4O2S2/c21-14(11-2-1-5-17-11)19-13-4-3-12(24-13)16(22)20-8-10(9-20)15-18-6-7-23-15/h3-4,6-7,10-11,17H,1-2,5,8-9H2,(H,19,21)/t11-/m0/s1 | Definition date: | 2020-07-20 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | N-{5-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]thiophen-2-yl}-L-prolinamide |
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| V9Z | Name: | N-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide | Formula: | C27 H30 N2 O3 | SMILES: | CNC(=O)CN(CC(c1ccccc1)c2ccccc2)C(=O)c3cc(C)c(OC)c(C)c3 | InChi: | InChI=1S/C27H30N2O3/c1-19-15-23(16-20(2)26(19)32-4)27(31)29(18-25(30)28-3)17-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,24H,17-18H2,1-4H3,(H,28,30) | Synonyms: | N-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)benzamide | Definition date: | 2021-05-03 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{N}-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide |
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| VBE | Name: | 1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-N-[(2S)-2-phenylpropyl]pyridine-3-carboxamide | Formula: | C20 H25 N3 O3 | SMILES: | CNC(=O)CN(C[CH](C)c1ccccc1)C(=O)C2=CN(C)C(=O)C(=C2)C | InChi: | InChI=1S/C20H25N3O3/c1-14-10-17(12-22(4)19(14)25)20(26)23(13-18(24)21-3)11-15(2)16-8-6-5-7-9-16/h5-10,12,15H,11,13H2,1-4H3,(H,21,24)/t15-/m1/s1 | Synonyms: | 1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-N-(2-phenylpropyl)-1,6-dihydropyridine-3-carboxamide | Definition date: | 2021-05-04 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 1,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{N}-[(2~{S})-2-phenylpropyl]pyridine-3-carboxamide |
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| VBH | Name: | N-(2,2-diphenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide | Formula: | C25 H27 N3 O3 | SMILES: | CNC(=O)CN(CC(c1ccccc1)c2ccccc2)C(=O)C3=CN(C)C(=O)C(=C3)C | InChi: | InChI=1S/C25H27N3O3/c1-18-14-21(15-27(3)24(18)30)25(31)28(17-23(29)26-2)16-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,22H,16-17H2,1-3H3,(H,26,29) | Synonyms: | N-(2,2-diphenylethyl)-1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide | Definition date: | 2021-05-04 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{N}-(2,2-diphenylethyl)-1,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide |
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| LKH | Name: | 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid | Formula: | C16 H11 Cl N4 O2 S | SMILES: | OC(=O)c1ccc(cc1)C=NN2C(=S)NN=C2c3ccc(Cl)cc3 | InChi: | InChI=1S/C16H11ClN4O2S/c17-13-7-5-11(6-8-13)14-19-20-16(24)21(14)18-9-10-1-3-12(4-2-10)15(22)23/h1-9H,(H,20,24)(H,22,23)/b18-9+ | Definition date: | 2019-08-21 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid |
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| LKW | Name: | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid | Formula: | C22 H17 N3 O4 | SMILES: | CCc1ccc(cc1)c2[nH]nc3nc(cc(C(O)=O)c23)c4ccc(cc4)C(O)=O | InChi: | InChI=1S/C22H17N3O4/c1-2-12-3-5-14(6-4-12)19-18-16(22(28)29)11-17(23-20(18)25-24-19)13-7-9-15(10-8-13)21(26)27/h3-11H,2H2,1H3,(H,26,27)(H,28,29)(H,23,24,25) | Definition date: | 2019-08-22 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
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| 2RI | Name: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide | Formula: | C30 H26 F N3 O4 | SMILES: | C[CH](O)C(=O)N([CH](C(=O)N[CH](C)c1ccc(F)cc1)c2cccnc2)c3ccc4c(oc5ccccc45)c3 | InChi: | InChI=1S/C30H26FN3O4/c1-18(20-9-11-22(31)12-10-20)33-29(36)28(21-6-5-15-32-17-21)34(30(37)19(2)35)23-13-14-25-24-7-3-4-8-26(24)38-27(25)16-23/h3-19,28,35H,1-2H3,(H,33,36)/t18-,19+,28+/m0/s1 | Definition date: | 2021-07-09 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide |
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| 2XI | Name: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide | Formula: | C24 H33 N3 O3 | SMILES: | C[CH](O)C(=O)N([CH](C(=O)NC(C)(C)C)c1cccnc1)c2ccc(cc2)C(C)(C)C | InChi: | InChI=1S/C24H33N3O3/c1-16(28)22(30)27(19-12-10-18(11-13-19)23(2,3)4)20(17-9-8-14-25-15-17)21(29)26-24(5,6)7/h8-16,20,28H,1-7H3,(H,26,29)/t16-,20-/m1/s1 | Definition date: | 2021-07-09 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide |
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| NY8 | Name: | ~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine | Formula: | C31 H40 N6 O2 | SMILES: | COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)Cc4ccc5ccccc5c4)c2cc1OC | InChi: | InChI=1S/C31H40N6O2/c1-36(2)15-7-14-32-31-34-27-20-29(39-4)28(38-3)19-26(27)30(35-31)33-25-12-16-37(17-13-25)21-22-10-11-23-8-5-6-9-24(23)18-22/h5-6,8-11,18-20,25H,7,12-17,21H2,1-4H3,(H2,32,33,34,35) | Definition date: | 2020-01-08 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine |
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| NZB | Name: | [(5-{4-fluoro-2-[2-(pyridin-3-yl)ethoxy]phenyl}-1H-indazol-3-yl)methyl]dimethylamine | Formula: | C23 H23 F N4 O | SMILES: | CN(C)Cc1[nH]nc2ccc(cc12)c3ccc(F)cc3OCCc4cccnc4 | InChi: | InChI=1S/C23H23FN4O/c1-28(2)15-22-20-12-17(5-8-21(20)26-27-22)19-7-6-18(24)13-23(19)29-11-9-16-4-3-10-25-14-16/h3-8,10,12-14H,9,11,15H2,1-2H3,(H,26,27) | Synonyms: | 1-[5-[4-fluoranyl-2-(2-pyridin-3-ylethoxy)phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine | Definition date: | 2020-01-13 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 1-[5-[4-fluoranyl-2-(2-pyridin-3-ylethoxy)phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine |
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| NZE | Name: | [(5-{4-fluoro-2-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-1H-indazol-3-yl)methyl]dimethylamine | Formula: | C21 H22 F N5 O | SMILES: | CN(C)Cc1n[nH]c2ccc(cc12)c3ccc(F)cc3OCCn4ccnc4 | InChi: | InChI=1S/C21H22FN5O/c1-26(2)13-20-18-11-15(3-6-19(18)24-25-20)17-5-4-16(22)12-21(17)28-10-9-27-8-7-23-14-27/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,24,25) | Synonyms: | 1-[5-[4-fluoranyl-2-(2-imidazol-1-ylethoxy)phenyl]-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine | Definition date: | 2020-01-13 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 1-[5-[4-fluoranyl-2-(2-imidazol-1-ylethoxy)phenyl]-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine |
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| B6C | Name: | 2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide | Formula: | C18 H16 Cl2 N4 O2 | SMILES: | c1(c(c(Cl)cc(c1)c2c(C)nnc2C)Nc3ccccc3C(NO)=O)Cl | InChi: | InChI=1S/C18H16Cl2N4O2/c1-9-16(10(2)23-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(25)24-26/h3-8,21,26H,1-2H3,(H,22,23)(H,24,25) | Definition date: | 2019-01-17 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide |
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| QP2 | Name: | (4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid | Formula: | C16 H28 N4 O7 S | SMILES: | C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](CNC(N)(O)O)C2)[CH]1C)C(O)=O)C(O)=O | InChi: | InChI=1S/C16H28N4O7S/c1-6-11(10(7(2)21)14(22)23)20-12(15(24)25)13(6)28-9-3-8(18-5-9)4-19-16(17,26)27/h6-11,18-21,26-27H,3-5,17H2,1-2H3,(H,22,23)(H,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1 | Synonyms: | hydrolyzed doripenem | Definition date: | 2020-07-14 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
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| T7K | Name: | neutral Yb(III)-caged complex | Formula: | C21 H29 N4 O7 Yb | SMILES: | Oc1ccc(CN2CCN3CCN4CCN(CC2)CC(=O)O[Yb](OC(=O)C4)OC(=O)C3)cc1 | InChi: | InChI=1S/C21H32N4O7.Yb/c26-18-3-1-17(2-4-18)13-22-5-7-23(14-19(27)28)9-11-25(16-21(31)32)12-10-24(8-6-22)15-20(29)30 | Synonyms: | 8-[(4-hydroxyphenyl)methyl]-2,17,18-trioxa-5,8,11,14-tetraza-1(gamma)-ytterbatricyclo[9.6.3.25,14]docosane-3,16,19-trione | Definition date: | 2020-12-17 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 |
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| 9E0 | Name: | (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid | Formula: | C12 H11 N O2 S | SMILES: | C[CH]1[CH](Sc2cccc3[nH]cc1c23)C(O)=O | InChi: | InChI=1S/C12H11NO2S/c1-6-7-5-13-8-3-2-4-9(10(7)8)16-11(6)12(14)15/h2-6,11,13H,1H3,(H,14,15)/t6-,11+/m0/s1 | Definition date: | 2018-03-21 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid |
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| 06I | Name: | 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | Formula: | C25 H18 Cl N5 O4 S | SMILES: | O=C1NC=C(C(=O)N1)C=1C=C(C(=O)N(C=1)c1cccnc1)c1cc(cc(Cl)c1)OCc1ncsc1C | InChi: | InChI=1S/C25H18ClN5O4S/c1-14-22(29-13-36-14)12-35-19-6-15(5-17(26)8-19)20-7-16(21-10-28-25(34)30-23(21)32)11-31(24(20)33)18-3-2-4-27-9-18/h2-11,13H,12H2,1H3,(H2,28,30,32,34) | Definition date: | 2021-06-03 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione |
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| 06N | Name: | 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol | Formula: | C13 H14 N4 O S | SMILES: | CCCNc1sc2ncc(n2n1)c3ccc(O)cc3 | InChi: | InChI=1S/C13H14N4OS/c1-2-7-14-12-16-17-11(8-15-13(17)19-12)9-3-5-10(18)6-4-9/h3-6,8,18H,2,7H2,1H3,(H,14,16) | Definition date: | 2021-05-31 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol |
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| 07C | Name: | 2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline | Formula: | C12 H8 N4 O2 S | SMILES: | CSc1ncc2cc3cnccc3c(c2n1)[N+]([O-])=O | InChi: | InChI=1S/C12H8N4O2S/c1-19-12-14-6-8-4-7-5-13-3-2-9(7)11(16(17)18)10(8)15-12/h2-6H,1H3 | Definition date: | 2021-06-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline |
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| 0EI | Name: | 4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide | Formula: | C36 H37 F N8 O S | SMILES: | CSc1nc(c2ccc(F)cc2)c(n1C)c3ccnc(Nc4ccc5N=Nc6ccc(NC(=O)CCCN(C)C)cc6CCc5c4)c3 | InChi: | InChI=1S/C36H37FN8OS/c1-44(2)19-5-6-33(46)40-29-14-16-31-25(21-29)8-7-24-20-28(13-15-30(24)42-43-31)39-32-22-26(17-18-38-32)35-34(41-36(47-4)45(35)3)23-9-11-27(37)12-10-23/h9-18,20-22H,5-8,19H2,1-4H3,(H,38,39)(H,40,46)/b43-42- | Definition date: | 2021-06-05 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 4-(dimethylamino)-~{N}-[(5~{Z})-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide |
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| FN7 | Name: | 2,4,6-trimethylpyridine-3-carboxylic acid | Formula: | C9 H11 N O2 | SMILES: | OC(=O)c1c(C)cc(C)nc1C | InChi: | InChI=1S/C9H11NO2/c1-5-4-6(2)10-7(3)8(5)9(11)12/h4H,1-3H3,(H,11,12) | Definition date: | 2021-04-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 2,4,6-trimethylpyridine-3-carboxylic acid |
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| G0R | Name: | N-(4-carbamimidamidobutyl)ethanamide | Formula: | C7 H16 N4 O | SMILES: | CC(=O)NCCCCNC(N)=N | InChi: | InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11) | Definition date: | 2020-07-14 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{N}-(4-carbamimidamidobutyl)ethanamide |
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| 4OF | Name: | N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide | Formula: | C27 H31 Cl F4 N6 O2 S | SMILES: | CN1CCC(CC1)c1ccc(Nc2nc(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)c(cn2)C(F)(F)F)cc1F | InChi: | InChI=1S/C27H31ClF4N6O2S/c1-26(2,3)41(39,40)37-23-14-18(6-8-21(23)28)34-24-20(27(30,31)32)15-33-25(36-24)35-17-5-7-19(22(29)13-17)16-9-11-38(4)12-10-16/h5-8,13-16,37H,9-12H2,1-4H3,(H2,33,34,35,36) | Definition date: | 2021-07-13 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide |
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