 | | 4IL | | Name: | 13-Oxofumitremorgin B | | Formula: | C27 H31 N3 O5 | | SMILES: | COc1ccc2c(c1)n(CC=C(C)C)c3[CH](C=C(C)C)N4C(=O)[CH]5CCCN5C(=O)[C]4(O)C(=O)c23 | | InChi: | InChI=1S/C27H31N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,34H,6-7,11-12H2,1-5H3/t19-,21-,27+/m0/s1 | | Synonyms: | (1R,12S,15S)-1-hydroxy-7-methoxy-10-(3-methylbut-2-enyl)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-2,14,20-trione | | Definition date: | 2022-02-02 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 |
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 | | 7QC | | Name: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile | | Formula: | C20 H20 N4 O2 | | SMILES: | COc1cc(CN)cc(OC)c1c2ncn(C)c2c3ccc(cc3)C#N | | InChi: | InChI=1S/C20H20N4O2/c1-24-12-23-19(20(24)15-6-4-13(10-21)5-7-15)18-16(25-2)8-14(11-22)9-17(18)26-3/h4-9,12H,11,22H2,1-3H3 | | Definition date: | 2021-10-13 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile |
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 | | 7Z8 | | Name: | N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]nonanamide | | Formula: | C16 H33 N O6 | | SMILES: | CCCCCCCCC(=O)N(C)C[CH](O)[CH](O)[CH](O)[CH](O)CO | | InChi: | InChI=1S/C16H33NO6/c1-3-4-5-6-7-8-9-14(21)17(2)10-12(19)15(22)16(23)13(20)11-18/h12-13,15-16,18-20,22-23H,3-11H2,1-2H3/t12-,13+,15+,16+/m0/s1 | | Synonyms: | MEGA-9 | | Definition date: | 2022-03-02 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | ~{N}-methyl-~{N}-[(2~{S},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]nonanamide |
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 | | 2I7 | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol | | Formula: | C25 H30 N4 O4 | | SMILES: | Cc1cc(cc(c1)NCc1cc(CN2CC(O)C(O)C(O)C2CO)ccc1)c1ncccn1 | | InChi: | InChI=1S/C25H30N4O4/c1-16-8-19(25-26-6-3-7-27-25)11-20(9-16)28-12-17-4-2-5-18(10-17)13-29-14-22(31)24(33)23(32)21(29)15-30/h2-11,21-24,28,30-33H,12-15H2,1H3/t21-,22+,23-,24-/m1/s1 | | Definition date: | 2021-06-28 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol |
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 | | 943 | | Name: | 2-[[2,6-bis(chloranyl)-4-pyridin-4-yl-phenyl]amino]benzoic acid | | Formula: | C18 H12 Cl2 N2 O2 | | SMILES: | OC(=O)c1ccccc1Nc2c(Cl)cc(cc2Cl)c3ccncc3 | | InChi: | InChI=1S/C18H12Cl2N2O2/c19-14-9-12(11-5-7-21-8-6-11)10-15(20)17(14)22-16-4-2-1-3-13(16)18(23)24/h1-10,22H,(H,23,24) | | Definition date: | 2022-01-01 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 2-[[2,6-bis(chloranyl)-4-pyridin-4-yl-phenyl]amino]benzoic acid |
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 | | 1KF | | Name: | (3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid | | Formula: | C25 H27 F3 N2 O3 | | SMILES: | C[CH](CCCOc1ccccc1Cn2c(C)cnc2c3ccc(cc3)C(F)(F)F)CC(O)=O | | InChi: | InChI=1S/C25H27F3N2O3/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1 | | Definition date: | 2021-07-02 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (3~{R})-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid |
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 | | 9FF | | Name: | 1H-indole-2-carbaldehyde | | Formula: | C9 H7 N O | | SMILES: | O=Cc1[nH]c2ccccc2c1 | | InChi: | InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H | | Definition date: | 2022-03-11 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | 1~{H}-indole-2-carbaldehyde |
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 | | WB2 | | Name: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid | | Formula: | C52 H48 N4 O14 S2 | | SMILES: | COc1cc(ccc1OC(=O)c2sccc2)[CH]3[C](NC(=O)c4ccc(NC(=O)C(C)C)cc4)([CH](c5ccc(OC(=O)c6sccc6)c(OC)c5)[C]3(NC(=O)c7ccc(NC(=O)C(C)C)cc7)C(O)=O)C(O)=O | | InChi: | InChI=1S/C52H48N4O14S2/c1-27(2)43(57)53-33-17-11-29(12-18-33)45(59)55-51(49(63)64)41(31-15-21-35(37(25-31)67-5)69-47(61)39-9-7-23-71-39)52(50(65)66,56-46(60)30-13-19-34(20-14-30)54-44(58)28(3)4)42(51)32-16-22-36(38(26-32)68-6)70-48(62)40-10-8-24-72-40/h7-28,41-42H,1-6H3,(H,53,57)(H,54,58)(H,55,59)(H,56,60)(H,63,64)(H,65,66)/t41-,42+,51+,52- | | Definition date: | 2022-04-01 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid |
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 | | BYI | | Name: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid | | Formula: | C54 H52 N4 O16 S2 | | SMILES: | COc1cc(ccc1OC(=O)c2sccc2)[CH]3[C](NC(=O)c4ccc(NC(=O)OC(C)(C)C)cc4)([CH](c5ccc(OC(=O)c6sccc6)c(OC)c5)[C]3(NC(=O)c7ccc(NC(=O)OC(C)(C)C)cc7)C(O)=O)C(O)=O | | InChi: | InChI=1S/C54H52N4O16S2/c1-51(2,3)73-49(67)55-33-19-13-29(14-20-33)43(59)57-53(47(63)64)41(31-17-23-35(37(27-31)69-7)71-45(61)39-11-9-25-75-39)54(48(65)66,58-44(60)30-15-21-34(22-16-30)56-50(68)74-52(4,5)6)42(53)32-18-24-36(38(28-32)70-8)72-46(62)40-12-10-26-76-40/h9-28,41-42H,1-8H3,(H,55,67)(H,56,68)(H,57,59)(H,58,60)(H,63,64)(H,65,66)/t41-,42+,53+,54- | | Definition date: | 2022-04-01 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid |
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 | | ZQV | | Name: | 5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid | | Formula: | C28 H25 Cl N4 O4 | | SMILES: | CC(=O)NC1CC=C(CC1)c1ccc(cc1)c1nc2nc(Oc3cc(C(=O)O)c(C)cc3)[NH]c2cc1Cl | | InChi: | InChI=1S/C28H25ClN4O4/c1-15-3-12-21(13-22(15)27(35)36)37-28-31-24-14-23(29)25(32-26(24)33-28)19-6-4-17(5-7-19)18-8-10-20(11-9-18)30-16(2)34/h3-8,12-14,20H,9-11H2,1-2H3,(H,30,34)(H,35,36)(H,31,32,33)/t20-/m0/s1 | | Definition date: | 2021-05-21 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid |
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 | | P4V | | Name: | rotundine | | Formula: | C21 H25 N O4 | | SMILES: | COc1c2CN3CCc4cc(OC)c(OC)cc4C3Cc2ccc1OC | | InChi: | InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1 | | Definition date: | 2022-05-24 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | (7R,13aR)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline |
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 | | JUX | | Name: | N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide | | Formula: | C19 H18 N4 O S2 | | SMILES: | O=C(CSc1ccc(nn1)c1ccccc1)N(C1CC1)c1nc(C)cs1 | | InChi: | InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3 | | Definition date: | 2022-02-02 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide |
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 | | 1WR | | Name: | (3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid | | Formula: | C22 H25 N O2 | | SMILES: | OC(=O)[CH]1CCCN(CCC=C(c2ccccc2)c3ccccc3)C1 | | InChi: | InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m0/s1 | | Synonyms: | SKF89976A | | Definition date: | 2022-01-24 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | (3~{S})-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid |
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 | | IUS | | Name: | (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide | | Formula: | C35 H41 F4 N3 O4 | | SMILES: | CC(C)(O)c1ccc(cc1)c1cc(ccc1)N(CC12CCC(CC1)(CC2)c1nc(on1)C(C)(C)F)C(=O)C1CC(O)(C1)C(F)(F)F | | InChi: | InChI=1S/C35H41F4N3O4/c1-30(2,36)29-40-28(41-46-29)33-15-12-32(13-16-33,14-17-33)21-42(27(43)24-19-34(45,20-24)35(37,38)39)26-7-5-6-23(18-26)22-8-10-25(11-9-22)31(3,4)44/h5-11,18,24,44-45H,12-17,19-21H2,1-4H3/t24-,32-,33+,34+ | | Definition date: | 2022-01-31 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide |
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 | | 08N | | Name: | noscapine | | Formula: | C22 H23 N O7 | | SMILES: | COc1c2OCOc2cc2CCN(C)C(C3OC(=O)c4c(OC)c(ccc43)OC)c12 | | InChi: | InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1 | | Synonyms: | (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one | | Definition date: | 2021-06-07 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one |
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 | | 08V | | Name: | glaucine | | Formula: | C21 H25 N O4 | | SMILES: | COc1cc2c(CC3c4c(CCN3C)cc(OC)c(OC)c24)cc1OC | | InChi: | InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1 | | Synonyms: | (6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline | | Definition date: | 2021-06-07 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | (6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
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 | | 4RI | | Name: | 6-hexyl-5-phenyl-pyrimidine-2,4-diamine | | Formula: | C16 H22 N4 | | SMILES: | CCCCCCc1nc(N)nc(N)c1c2ccccc2 | | InChi: | InChI=1S/C16H22N4/c1-2-3-4-8-11-13-14(12-9-6-5-7-10-12)15(17)20-16(18)19-13/h5-7,9-10H,2-4,8,11H2,1H3,(H4,17,18,19,20) | | Definition date: | 2021-08-05 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 6-hexyl-5-phenyl-pyrimidine-2,4-diamine |
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 | | 4TS | | Name: | 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine | | Formula: | C21 H23 Cl N4 O2 | | SMILES: | Nc1nc(N)c(c(CCOCCCOc2ccccc2)n1)c3cccc(Cl)c3 | | InChi: | InChI=1S/C21H23ClN4O2/c22-16-7-4-6-15(14-16)19-18(25-21(24)26-20(19)23)10-13-27-11-5-12-28-17-8-2-1-3-9-17/h1-4,6-9,14H,5,10-13H2,(H4,23,24,25,26) | | Definition date: | 2021-08-05 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine |
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 | | 25J | | Name: | 4-(6-amino-5-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]ethoxy}pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one | | Formula: | C23 H19 F N6 O2 | | SMILES: | O=C1NCc2c1cccc2c1cc(OC(C)c2cc(F)ccc2n2nccn2)c(N)nc1 | | InChi: | InChI=1S/C23H19FN6O2/c1-13(18-10-15(24)5-6-20(18)30-28-7-8-29-30)32-21-9-14(11-26-22(21)25)16-3-2-4-17-19(16)12-27-23(17)31/h2-11,13H,12H2,1H3,(H2,25,26)(H,27,31)/t13-/m1/s1 | | Definition date: | 2021-06-25 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 4-(6-amino-5-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]ethoxy}pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one |
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 | | 2IU | | Name: | [[(2R,3S,5R)-5-[5-(1-benzofuran-2-yl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C17 H19 N2 O15 P3 | | SMILES: | O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=C(C(=O)NC2=O)c3oc4ccccc4c3 | | InChi: | InChI=1S/C17H19N2O15P3/c20-11-6-15(32-14(11)8-30-36(26,27)34-37(28,29)33-35(23,24)25)19-7-10(16(21)18-17(19)22)13-5-9-3-1-2-4-12(9)31-13/h1-5,7,11,14-15,20H,6,8H2,(H,26,27)(H,28,29)(H,18,21,22)(H2,23,24,25)/t11-,14+,15+/m0/s1 | | Synonyms: | BFdUTP | | Definition date: | 2021-06-21 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | [[(2~{R},3~{S},5~{R})-5-[5-(1-benzofuran-2-yl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | 9BC | | Name: | 1-(2-{[(diphenylmethylidene)amino]oxy}ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid | | Formula: | C21 H22 N2 O3 | | SMILES: | OC(=O)C1=CCCN(CCON=C(c2ccccc2)c3ccccc3)C1 | | InChi: | InChI=1S/C21H22N2O3/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12H,7,13-16H2,(H,24,25) | | Synonyms: | NO-711 | | Definition date: | 2022-01-13 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 1-[2-[(diphenylmethylidene)amino]oxyethyl]-3,6-dihydro-2~{H}-pyridine-5-carboxylic acid |
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 | | 1IF | | Name: | 3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide | | Formula: | C21 H14 F3 N3 O | | SMILES: | Nc1ccc(C#Cc2cccc(c2)C(=O)Nc2cc(ccc2)C(F)(F)F)cn1 | | InChi: | InChI=1S/C21H14F3N3O/c22-21(23,24)17-5-2-6-18(12-17)27-20(28)16-4-1-3-14(11-16)7-8-15-9-10-19(25)26-13-15/h1-6,9-13H,(H2,25,26)(H,27,28) | | Definition date: | 2021-06-22 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide |
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 | | 1IJ | | Name: | N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide | | Formula: | C20 H17 F3 N4 O3 | | SMILES: | Nc1ncc(Oc2cc(CCNC(=O)c3cccc(OC(F)(F)F)c3)ccc2)cn1 | | InChi: | InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-6-2-4-14(10-16)18(28)25-8-7-13-3-1-5-15(9-13)29-17-11-26-19(24)27-12-17/h1-6,9-12H,7-8H2,(H,25,28)(H2,24,26,27) | | Definition date: | 2021-06-22 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide |
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 | | 1IM | | Name: | 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide | | Formula: | C22 H15 F3 N2 O | | SMILES: | FC(F)(F)c1cc(ccc1)NC(=O)Cc1cccc(C#Cc2cccnc2)c1 | | InChi: | InChI=1S/C22H15F3N2O/c23-22(24,25)19-7-2-8-20(14-19)27-21(28)13-18-5-1-4-16(12-18)9-10-17-6-3-11-26-15-17/h1-8,11-12,14-15H,13H2,(H,27,28) | | Definition date: | 2021-06-22 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
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 | | 1IW | | Name: | 2-chloro-5-{3-chloro-4-[(2-hydroxyethyl)amino]benzamido}-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide | | Formula: | C23 H19 Cl2 N5 O3 | | SMILES: | OCCNc1ccc(cc1Cl)C(=O)Nc1cc(c(Cl)cc1)C(=O)Nc1cc2cc[NH]c2nc1 | | InChi: | InChI=1S/C23H19Cl2N5O3/c24-18-3-2-15(29-22(32)14-1-4-20(19(25)10-14)26-7-8-31)11-17(18)23(33)30-16-9-13-5-6-27-21(13)28-12-16/h1-6,9-12,26,31H,7-8H2,(H,27,28)(H,29,32)(H,30,33) | | Definition date: | 2021-06-22 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | 2-chloro-5-{3-chloro-4-[(2-hydroxyethyl)amino]benzamido}-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide |
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