 | | PQP | | Name: | 4-(1H-imidazol-1-yl)benzoic acid | | Formula: | C10 H8 N2 O2 | | SMILES: | c1cn(cn1)c2ccc(C(O)=O)cc2 | | InChi: | InChI=1S/C10H8N2O2/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,(H,13,14) | | Definition date: | 2019-08-21 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 4-(1H-imidazol-1-yl)benzoic acid |
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 | | F4U | | Name: | 2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione | | Formula: | C13 H10 N2 O5 | | SMILES: | Oc1ccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c2c1 | | InChi: | InChI=1S/C13H10N2O5/c16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h1-2,5,9,16H,3-4H2,(H,14,17,18)/t9-/m0/s1 | | Definition date: | 2020-03-26 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione |
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 | | F66 | | Name: | 2-(2-methyl-1H-indol-3-yl)ethanamine | | Formula: | C11 H14 N2 | | SMILES: | Cc1[nH]c2ccccc2c1CCN | | InChi: | InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3 | | Synonyms: | 2-Methyltryptamine | | Definition date: | 2020-04-01 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 2-(2-methyl-1~{H}-indol-3-yl)ethanamine |
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 | | PZ4 | | Name: | 5-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine | | Formula: | C11 H9 F N6 | | SMILES: | CNc3nc(c2cnc1c2cncn1)ncc3F | | InChi: | InChI=1S/C11H9FN6/c1-13-11-8(12)4-16-10(18-11)7-3-15-9-6(7)2-14-5-17-9/h2-5H,1H3,(H,13,16,18)(H,14,15,17) | | Definition date: | 2019-08-29 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 5-fluoro-N-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine |
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 | | FFR | | Name: | 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid | | Formula: | C30 H27 F N6 O4 | | SMILES: | OC(=O)c1ccc2nc(CN3CCC(=CC3)c4cccc(OCc5ccc(cc5F)C#N)n4)n(C[CH]6CCO6)c2n1 | | InChi: | InChI=1S/C30H27FN6O4/c31-23-14-19(15-32)4-5-21(23)18-41-28-3-1-2-24(34-28)20-8-11-36(12-9-20)17-27-33-25-6-7-26(30(38)39)35-29(25)37(27)16-22-10-13-40-22/h1-8,14,22H,9-13,16-18H2,(H,38,39)/t22-/m0/s1 | | Definition date: | 2020-05-11 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid |
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 | | YR0 | | Name: | 7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | | Formula: | C31 H32 N6 O4 S | | SMILES: | O=C2C=C(N1CCOCC1)Oc3c(csc23)c4ccc(cc4)Nc5ncc6cc(C(=O)N(C)C)n(c6n5)C7CCCC7 | | InChi: | InChI=1S/C31H32N6O4S/c1-35(2)30(39)24-15-20-17-32-31(34-29(20)37(24)22-5-3-4-6-22)33-21-9-7-19(8-10-21)23-18-42-28-25(38)16-26(41-27(23)28)36-11-13-40-14-12-36/h7-10,15-18,22H,3-6,11-14H2,1-2H3,(H,32,33,34) | | Definition date: | 2020-05-11 | | Last modified: | 2020-08-21 | | Release date: | 2020-08-26 | | Identifier: | 7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
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 | | S7D | | Name: | 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone | | Formula: | C10 H15 N3 O2 | | SMILES: | C[CH]1CN(CCO1)C(=O)Cn2cccn2 | | InChi: | InChI=1S/C10H15N3O2/c1-9-7-12(5-6-15-9)10(14)8-13-4-2-3-11-13/h2-4,9H,5-8H2,1H3/t9-/m0/s1 | | Definition date: | 2020-03-05 | | Last modified: | 2020-08-20 | | Release date: | 2020-03-25 | | Identifier: | 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone |
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 | | G8F | | Name: | 3-methoxybenzenesulfonamide | | Formula: | C7 H9 N O3 S | | SMILES: | COc1cccc(c1)[S](N)(=O)=O | | InChi: | InChI=1S/C7H9NO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10) | | Definition date: | 2020-08-05 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 3-methoxybenzenesulfonamide |
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 | | G8L | | Name: | quinoline-8-sulfonamide | | Formula: | C9 H8 N2 O2 S | | SMILES: | N[S](=O)(=O)c1cccc2cccnc12 | | InChi: | InChI=1S/C9H8N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H2,10,12,13) | | Definition date: | 2020-08-05 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | quinoline-8-sulfonamide |
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 | | G8O | | Name: | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid | | Formula: | C13 H12 O4 S | | SMILES: | COc1cc(OC)c(cc1C(O)=O)c2sccc2 | | InChi: | InChI=1S/C13H12O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-7H,1-2H3,(H,14,15) | | Definition date: | 2020-08-06 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid |
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 | | QKY | | Name: | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one | | Formula: | C18 H25 N3 O | | SMILES: | N1=C(N)N(C)C(=O)C1(c2ccccc2)CCC3CCCCC3 | | InChi: | InChI=1S/C18H25N3O/c1-21-16(22)18(20-17(21)19,15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H2,19,20)/t18-/m1/s1 | | Definition date: | 2019-11-12 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one |
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 | | QL1 | | Name: | (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one | | Formula: | C21 H27 N3 O2 | | SMILES: | N4(C(N)=NC(C13CC2CC(C1)CC(C2)C3)(C4=O)c5ccc(cc5)OC)C | | InChi: | InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13-,14+,15-,20-,21-/m1/s1 | | Definition date: | 2019-11-12 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one |
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 | | QME | | Name: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole | | Formula: | C13 H16 N2 | | SMILES: | C1CC[CH](NC1)c2[nH]c3ccccc3c2 | | InChi: | InChI=1S/C13H16N2/c1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12/h1-2,5-6,9,12,14-15H,3-4,7-8H2/t12-/m1/s1 | | Definition date: | 2020-06-30 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole |
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 | | QAD | | Name: | 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid | | Formula: | C14 H14 O5 S | | SMILES: | O=C(CCC(=O)c2sc1cc(OC)c(cc1c2)OC)O | | InChi: | InChI=1S/C14H14O5S/c1-18-10-5-8-6-13(9(15)3-4-14(16)17)20-12(8)7-11(10)19-2/h5-7H,3-4H2,1-2H3,(H,16,17) | | Definition date: | 2019-10-09 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid |
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 | | QAV | | Name: | 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid) | | Formula: | C29 H28 O8 S2 | | SMILES: | OC(CCC(=O)c1sc2cc(OC)c(cc2c1)CCCc4cc3cc(sc3cc4OC)C(CCC(O)=O)=O)=O | | InChi: | InChI=1S/C29H28O8S2/c1-36-22-14-24-18(12-26(38-24)20(30)6-8-28(32)33)10-16(22)4-3-5-17-11-19-13-27(21(31)7-9-29(34)35)39-25(19)15-23(17)37-2/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35) | | Definition date: | 2019-10-10 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid) |
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 | | QB1 | | Name: | 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid | | Formula: | C29 H28 O10 S2 | | SMILES: | O=C(O)CCC(=O)c1sc2c(c1)cc(c(c2)OCCCOc4c(OC)cc3sc(C(=O)CCC(O)=O)cc3c4)OC | | InChi: | InChI=1S/C29H28O10S2/c1-36-20-10-16-12-26(18(30)4-6-28(32)33)41-25(16)15-23(20)39-9-3-8-38-22-11-17-13-27(19(31)5-7-29(34)35)40-24(17)14-21(22)37-2/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35) | | Definition date: | 2019-10-10 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid |
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 | | QB7 | | Name: | 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid | | Formula: | C29 H27 F O10 S2 | | SMILES: | O=C(O)CCC(=O)c1sc2c(c1)cc(c(c2)OCCCOc4c(OC)cc3sc(C(=O)CCC(O)=O)cc3c4F)OC | | InChi: | InChI=1S/C29H27FO10S2/c1-37-19-10-15-11-24(17(31)4-6-26(33)34)41-22(15)13-20(19)39-8-3-9-40-29-21(38-2)14-23-16(28(29)30)12-25(42-23)18(32)5-7-27(35)36/h10-14H,3-9H2,1-2H3,(H,33,34)(H,35,36) | | Definition date: | 2019-10-10 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid |
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 | | QBA | | Name: | 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid) | | Formula: | C29 H28 O10 S2 | | SMILES: | O=C(O)CCC(=O)c1cc2c(s1)cc(c(c2)OC)OCCCOc3c(cc4c(c3)sc(C(=O)CCC(O)=O)c4)OC | | InChi: | InChI=1S/C29H28O10S2/c1-36-20-10-16-12-26(18(30)4-6-28(32)33)40-24(16)14-22(20)38-8-3-9-39-23-15-25-17(11-21(23)37-2)13-27(41-25)19(31)5-7-29(34)35/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35) | | Definition date: | 2019-10-10 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid) |
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 | | QBD | | Name: | 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid | | Formula: | C29 H28 O8 S2 | | SMILES: | OC(CCC(=O)c1sc2c(c1)cc(c(c2)CCCc4c3cc(C(CCC(=O)O)=O)sc3cc(c4)OC)OC)=O | | InChi: | InChI=1S/C29H28O8S2/c1-36-19-10-16(20-15-27(39-25(20)14-19)22(31)7-9-29(34)35)4-3-5-17-12-24-18(11-23(17)37-2)13-26(38-24)21(30)6-8-28(32)33/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35) | | Definition date: | 2019-10-10 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid |
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 | | QBG | | Name: | 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid | | Formula: | C28 H25 F O10 S2 | | SMILES: | OC(=O)CCC(=O)c1sc2c(c1)cc(c(c2)OC)OCCOc4c(F)c3cc(C(=O)CCC(=O)O)sc3cc4OC | | InChi: | InChI=1S/C28H25FO10S2/c1-36-18-12-21-14(10-23(40-21)16(30)3-5-25(32)33)9-19(18)38-7-8-39-28-20(37-2)13-22-15(27(28)29)11-24(41-22)17(31)4-6-26(34)35/h9-13H,3-8H2,1-2H3,(H,32,33)(H,34,35) | | Definition date: | 2019-10-10 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid |
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 | | QBJ | | Name: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid | | Formula: | C29 H26 O9 S2 | | SMILES: | OC(CCC(=O)c1sc2c(c1)cc(c(c2)OC)OC[C@H]=[C@H]c4cc3cc(C(CCC(=O)O)=O)sc3cc4OC)=O | | InChi: | InChI=1S/C29H26O9S2/c1-36-21-14-24-17(12-26(39-24)19(30)5-7-28(32)33)10-16(21)4-3-9-38-23-11-18-13-27(20(31)6-8-29(34)35)40-25(18)15-22(23)37-2/h3-4,10-15H,5-9H2,1-2H3,(H,32,33)(H,34,35)/b4-3- | | Definition date: | 2019-10-10 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid |
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 | | MZW | | Name: | 5-ethyl-1,3,4-thiadiazol-2-amine | | Formula: | C4 H7 N3 S | | SMILES: | CCc1sc(N)nn1 | | InChi: | InChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7) | | Definition date: | 2019-10-30 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 5-ethyl-1,3,4-thiadiazol-2-amine |
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 | | N0E | | Name: | ~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide | | Formula: | C15 H15 N O2 | | SMILES: | Oc1ccc(NC(=O)CCc2ccccc2)cc1 | | InChi: | InChI=1S/C15H15NO2/c17-14-9-7-13(8-10-14)16-15(18)11-6-12-4-2-1-3-5-12/h1-5,7-10,17H,6,11H2,(H,16,18) | | Definition date: | 2019-11-04 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | ~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide |
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 | | N0H | | Name: | ~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide | | Formula: | C14 H13 N O3 | | SMILES: | Oc1ccccc1NC(=O)COc2ccccc2 | | InChi: | InChI=1S/C14H13NO3/c16-13-9-5-4-8-12(13)15-14(17)10-18-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17) | | Definition date: | 2019-11-04 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | ~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide |
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 | | N0K | | Name: | 5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide | | Formula: | C24 H37 N3 O5 S | | SMILES: | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3C[CH](O)[CH](O)[CH]3CO | | InChi: | InChI=1S/C24H37N3O5S/c1-27(2)21-11-7-10-18-17(21)9-8-12-23(18)33(31,32)26-14-6-4-3-5-13-25-20-15-22(29)24(30)19(20)16-28/h7-12,19-20,22,24-26,28-30H,3-6,13-16H2,1-2H3/t19-,20-,22+,24-/m0/s1 | | Definition date: | 2019-11-04 | | Last modified: | 2020-08-14 | | Release date: | 2020-08-19 | | Identifier: | 5-(dimethylamino)-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide |
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