| MWY | Name: | (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate | Formula: | C24 H38 N4 O4 S | SMILES: | CCC3(C)CC(OC(CSc1nnc(N)n1)=O)C2(C4C(CCC2C)(C(C3O)C)CCC4=O)C | InChi: | InChI=1S/C24H38N4O4S/c1-6-22(4)11-16(32-17(30)12-33-21-26-20(25)27-28-21)23(5)13(2)7-9-24(14(3)19(22)31)10-8-15(29)18(23)24/h13-14,16,18-19,31H,6-12H2,1-5H3,(H3,25,26,27,28)/t13-,14+,16-,18+,19+,22-,23+,24+/m1/s1 | Definition date: | 2019-04-23 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate |
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| MYJ | Name: | 2-methyl-4-nitrophenol | Formula: | C7 H7 N O3 | SMILES: | Cc1c(O)ccc(c1)N(=O)=O | InChi: | InChI=1S/C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3 | Definition date: | 2019-04-24 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | 2-methyl-4-nitrophenol |
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| MZG | Name: | 4-chloro-2-methylphenol | Formula: | C7 H7 Cl O | SMILES: | c1cc(cc(C)c1O)Cl | InChi: | InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3 | Definition date: | 2019-04-24 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | 4-chloro-2-methylphenol |
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| 9VS | Name: | cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol | Formula: | C38 H43 N7 O3 | SMILES: | OC1CCC(CC1)Nc7c(c3ccc(CN2CCN(C)CC2)cc3)cnc(Nc6ccc(C#Cc5nccc(C4OCCO4)c5)cc6)n7 | InChi: | InChI=1S/C38H43N7O3/c1-44-18-20-45(21-19-44)26-28-2-7-29(8-3-28)35-25-40-38(43-36(35)41-31-12-14-34(46)15-13-31)42-32-9-4-27(5-10-32)6-11-33-24-30(16-17-39-33)37-47-22-23-48-37/h2-5,7-10,16-17,24-25,31,34,37,46H,12-15,18-23,26H2,1H3,(H2,40,41,42,43)/t31-,34+ | Definition date: | 2017-06-15 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol |
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| A0L | Name: | 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one | Formula: | C31 H34 N6 O4 | SMILES: | c5(CC4=C(N=C(CCCC)N(Cc3ccc(c1c(cccc1)C=2NC(=O)ON=2)cc3)C4=O)C)nc(C(C)(C)C)no5 | InChi: | InChI=1S/C31H34N6O4/c1-6-7-12-25-32-19(2)24(17-26-33-29(36-40-26)31(3,4)5)28(38)37(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)27-34-30(39)41-35-27/h8-11,13-16H,6-7,12,17-18H2,1-5H3,(H,34,35,39) | Definition date: | 2018-09-11 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one |
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| JQ5 | Name: | 4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid | Formula: | C6 H11 O6 P | SMILES: | CCO[P](O)(=O)C(=O)CCC(O)=O | InChi: | InChI=1S/C6H11O6P/c1-2-12-13(10,11)6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)(H,10,11) | Definition date: | 2019-03-16 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | 4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid |
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| JSQ | Name: | 2-fluoro-ATP | Formula: | C10 H15 F N5 O13 P3 | SMILES: | Nc1nc(F)nc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1 | Definition date: | 2019-03-25 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-fluoranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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| JTE | Name: | (2~{R})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid | Formula: | C17 H17 F O2 | SMILES: | C[CH](C(O)=O)c1ccc(c(F)c1)c2cc(C)cc(C)c2 | InChi: | InChI=1S/C17H17FO2/c1-10-6-11(2)8-14(7-10)15-5-4-13(9-16(15)18)12(3)17(19)20/h4-9,12H,1-3H3,(H,19,20)/t12-/m1/s1 | Definition date: | 2019-03-26 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | (2~{R})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid |
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| JTK | Name: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid | Formula: | C15 H11 Cl2 F O2 | SMILES: | C[CH](C(O)=O)c1ccc(c(F)c1)c2cc(Cl)cc(Cl)c2 | InChi: | InChI=1S/C15H11Cl2FO2/c1-8(15(19)20)9-2-3-13(14(18)6-9)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H,19,20)/t8-/m1/s1 | Definition date: | 2019-03-26 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid |
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| JTN | Name: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid | Formula: | C16 H11 Cl2 F O2 | SMILES: | OC(=O)C1(CC1)c2ccc(c(F)c2)c3cc(Cl)cc(Cl)c3 | InChi: | InChI=1S/C16H11Cl2FO2/c17-11-5-9(6-12(18)8-11)13-2-1-10(7-14(13)19)16(3-4-16)15(20)21/h1-2,5-8H,3-4H2,(H,20,21) | Definition date: | 2019-03-27 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid |
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| LB5 | Name: | ~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide | Formula: | C26 H32 N6 O3 S | SMILES: | Cc1ccccc1n2cc(cn2)C(=O)NCc3sc(cn3)C(=O)N[CH](CCC4CCCCC4)C(N)=O | InChi: | InChI=1S/C26H32N6O3S/c1-17-7-5-6-10-21(17)32-16-19(13-30-32)25(34)29-15-23-28-14-22(36-23)26(35)31-20(24(27)33)12-11-18-8-3-2-4-9-18/h5-7,10,13-14,16,18,20H,2-4,8-9,11-12,15H2,1H3,(H2,27,33)(H,29,34)(H,31,35)/t20-/m0/s1 | Definition date: | 2019-08-02 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | ~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide |
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| LB8 | Name: | ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide | Formula: | C29 H32 F3 N5 O3 | SMILES: | Cc1ccc(cc1NC(=O)c2cnn(c3ccccc3)c2C(F)(F)F)C(=O)N[CH](CCC4CCCCC4)C(N)=O | InChi: | InChI=1S/C29H32F3N5O3/c1-18-12-14-20(27(39)35-23(26(33)38)15-13-19-8-4-2-5-9-19)16-24(18)36-28(40)22-17-34-37(25(22)29(30,31)32)21-10-6-3-7-11-21/h3,6-7,10-12,14,16-17,19,23H,2,4-5,8-9,13,15H2,1H3,(H2,33,38)(H,35,39)(H,36,40)/t23-/m0/s1 | Definition date: | 2019-08-02 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide |
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| LBB | Name: | ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide | Formula: | C29 H35 N5 O3 | SMILES: | Cc1ccc(cc1NC(=O)c2cnn(c2)c3ccccc3C)C(=O)N[CH](CCC4CCCCC4)C(N)=O | InChi: | InChI=1S/C29H35N5O3/c1-19-12-14-22(28(36)32-24(27(30)35)15-13-21-9-4-3-5-10-21)16-25(19)33-29(37)23-17-31-34(18-23)26-11-7-6-8-20(26)2/h6-8,11-12,14,16-18,21,24H,3-5,9-10,13,15H2,1-2H3,(H2,30,35)(H,32,36)(H,33,37)/t24-/m0/s1 | Definition date: | 2019-08-02 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide |
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| LBE | Name: | 5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide | Formula: | C27 H33 N5 O2 | SMILES: | Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)NCCCC3CCCCC3)c4ccccc4 | InChi: | InChI=1S/C27H33N5O2/c28-25-24(19-31-32(25)23-11-5-2-6-12-23)27(34)30-18-21-13-15-22(16-14-21)26(33)29-17-7-10-20-8-3-1-4-9-20/h2,5-6,11-16,19-20H,1,3-4,7-10,17-18,28H2,(H,29,33)(H,30,34) | Definition date: | 2019-08-02 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | 5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
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| LO8 | Name: | (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide | Formula: | C16 H23 N3 O2 | SMILES: | C[C]1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3 | InChi: | InChI=1S/C16H23N3O2/c1-16(12-19(8-7-18-16)14-10-21-11-14)15(20)17-9-13-5-3-2-4-6-13/h2-6,14,18H,7-12H2,1H3,(H,17,20)/t16-/m0/s1 | Definition date: | 2019-08-29 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide |
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| B7X | Name: | (3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name) | Formula: | C26 H40 N7 O20 P3 S | SMILES: | c1nc(c2c(n1)n(cn2)C3C(O)C(C(COP(=O)(O)OP(OCC(C(O)C(=O)NCCC(NCCSC(CC(=O)CC(O)=O)=O)=O)(C)C)(=O)O)O3)OP(O)(O)=O)N | InChi: | InChI=1S/C26H40N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-12,14,19-21,25,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t14-,19-,20-,21+,25-/m1/s1 | Definition date: | 2019-01-21 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | (3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name) |
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| JGE | Name: | (R)-Ketoprofen | Formula: | C16 H14 O3 | SMILES: | C[CH](C(O)=O)c1cccc(c1)C(=O)c2ccccc2 | InChi: | InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1 | Definition date: | 2019-02-20 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | (2~{R})-2-[3-(phenylcarbonyl)phenyl]propanoic acid |
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| P1M | Name: | (3-endo)-N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine | Formula: | C15 H21 Br N2 | SMILES: | C2(CC1CCCC(N1C)C2)Nc3c(Br)cccc3 | InChi: | InChI=1S/C15H21BrN2/c1-18-12-5-4-6-13(18)10-11(9-12)17-15-8-3-2-7-14(15)16/h2-3,7-8,11-13,17H,4-6,9-10H2,1H3/t11-,12+,13- | Definition date: | 2019-07-24 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | (3-endo)-N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine |
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| E26 | Name: | (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione | Formula: | C21 H27 N O6 | SMILES: | CCNc1cc(O)c2C(=O)O[CH](C)[CH](C)C=CC(=O)[CH](O)[CH](O)CC=Cc2c1 | InChi: | InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1 | Definition date: | 2018-10-30 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione |
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| AE0 | Name: | ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate | Formula: | C30 H34 N4 O5 | SMILES: | C(CC=1C(N(C(CCCC)=NC=1C(C)C)Cc2ccc(cc2)c3ccccc3C4=NOC(N4)=O)=O)(=O)OCC | InChi: | InChI=1S/C30H34N4O5/c1-5-7-12-25-31-27(19(3)4)24(17-26(35)38-6-2)29(36)34(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)28-32-30(37)39-33-28/h8-11,13-16,19H,5-7,12,17-18H2,1-4H3,(H,32,33,37) | Definition date: | 2018-10-30 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate |
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| O37 | Name: | N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide | Formula: | C29 H31 F N4 O2 | SMILES: | N(C(c1cc(C)ccc1)=O)C2C(=O)N(CC)c4c(C2c3ccc(cc3)F)c(C)nn4C5CC=CCC5 | InChi: | InChI=1S/C29H31FN4O2/c1-4-33-28-24(19(3)32-34(28)23-11-6-5-7-12-23)25(20-13-15-22(30)16-14-20)26(29(33)36)31-27(35)21-10-8-9-18(2)17-21/h5-6,8-10,13-17,23,25-26H,4,7,11-12H2,1-3H3,(H,31,35)/t23-,25+,26+/m1/s1 | Definition date: | 2019-06-05 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide |
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| EZ8 | Name: | [1-[(2~{S},3~{S},4~{R},5~{S},6~{R})-2-[(1~{S},2~{S},4~{S},5~{S})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium | Formula: | C35 H48 Cl N6 O10 | SMILES: | [NH3+]Cc1cn(nn1)[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3C[CH]([CH](C[CH]3OCCCl)C(=O)NCc4ccc(CO)cc4)C(=O)NCc5ccc(CO)cc5 | InChi: | InChI=1S/C35H47ClN6O10/c36-9-10-50-27-11-25(33(48)38-14-20-1-5-22(17-43)6-2-20)26(34(49)39-15-21-3-7-23(18-44)8-4-21)12-28(27)51-35-30(42-16-24(13-37)40-41-42)32(47)31(46)29(19-45)52-35/h1-8,16,25-32,35,43-47H,9-15,17-19,37H2,(H,38,48)(H,39,49)/p+1/t25-,26-,27-,28-,29+,30-,31+,32+,35-/m0/s1 | Definition date: | 2018-05-10 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | [1-[(2~{S},3~{S},4~{R},5~{S},6~{R})-2-[(1~{S},2~{S},4~{S},5~{S})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium |
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| FBK | Name: | 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid | Formula: | C18 H13 N O3 | SMILES: | Oc1cccc(c1)c2cccc(n2)c3cccc(c3)C(O)=O | InChi: | InChI=1S/C18H13NO3/c20-15-7-2-5-13(11-15)17-9-3-8-16(19-17)12-4-1-6-14(10-12)18(21)22/h1-11,20H,(H,21,22) | Definition date: | 2018-06-19 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid |
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| O0A | Name: | 3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]benzamide | Formula: | C28 H26 N4 O2 | SMILES: | c5c(C2C(NC(c1cc(ccc1)C)=O)C(Nc3c2c(nn3c4ccccc4)C)=O)ccc(c5)C | InChi: | InChI=1S/C28H26N4O2/c1-17-12-14-20(15-13-17)24-23-19(3)31-32(22-10-5-4-6-11-22)26(23)30-28(34)25(24)29-27(33)21-9-7-8-18(2)16-21/h4-16,24-25H,1-3H3,(H,29,33)(H,30,34)/t24-,25-/m0/s1 | Definition date: | 2019-06-03 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | 3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]benzamide |
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| AUZ | Name: | bis(m2-Oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii) | Formula: | C24 H24 Au2 N4 O2 | SMILES: | Cc1cccc2c3cccc(C)[n+]3[Au]4(O[Au]5(O4)[n+]6c(C)cccc6c7cccc(C)[n+]57)[n+]12 | InChi: | InChI=1S/2C12H12N2.2Au.2O/c2*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12 | Definition date: | 2017-01-16 | Last modified: | 2019-09-05 | Release date: | 2017-05-31 |
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