| UJQ | Name: | 9~{H}-xanthene-9-carboxylic acid | Formula: | C14 H10 O3 | SMILES: | OC(=O)C1c2ccccc2Oc3ccccc13 | InChi: | InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16) | Definition date: | 2021-02-25 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 9~{H}-xanthene-9-carboxylic acid |
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| UJZ | Name: | 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole | Formula: | C8 H4 Br F3 N2 | SMILES: | FC(F)(F)c1cc(Br)c2nc[nH]c2c1 | InChi: | InChI=1S/C8H4BrF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14) | Definition date: | 2021-02-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole |
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| QXT | Name: | 1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione | Formula: | C24 H26 N2 O4 | SMILES: | CCC1(CC)C(=O)N(C1=O)c2cccc(CN3CCc4cc5OCOc5cc4C3)c2 | InChi: | InChI=1S/C24H26N2O4/c1-3-24(4-2)22(27)26(23(24)28)19-7-5-6-16(10-19)13-25-9-8-17-11-20-21(30-15-29-20)12-18(17)14-25/h5-7,10-12H,3-4,8-9,13-15H2,1-2H3 | Definition date: | 2020-08-19 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione |
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| UKE | Name: | 5-methoxy-1,3-benzoxazole-2-carboxylic acid | Formula: | C9 H7 N O4 | SMILES: | COc1ccc2oc(nc2c1)C(O)=O | InChi: | InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)10-8(14-7)9(11)12/h2-4H,1H3,(H,11,12) | Synonyms: | 5-Methoxybenzo[d]oxazole-2-carboxylic acid | Definition date: | 2021-02-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 5-methoxy-1,3-benzoxazole-2-carboxylic acid |
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| UKK | Name: | 6-phenoxy-3-pyridinamine | Formula: | C11 H10 N2 O | SMILES: | Nc1ccc(Oc2ccccc2)nc1 | InChi: | InChI=1S/C11H10N2O/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2 | Synonyms: | 6-phenoxypyridin-3-amine | Definition date: | 2021-02-27 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 6-phenoxypyridin-3-amine |
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| QYB | Name: | 3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one | Formula: | C11 H8 N4 O | SMILES: | O=C1NC=Nc2n[nH]c(c3ccccc3)c12 | InChi: | InChI=1S/C11H8N4O/c16-11-8-9(7-4-2-1-3-5-7)14-15-10(8)12-6-13-11/h1-6H,(H2,12,13,14,15,16) | Synonyms: | 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one | Definition date: | 2020-08-20 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one |
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| QYH | Name: | 6-(4-methoxyphenyl)pyrimidine-2,4-diamine | Formula: | C11 H12 N4 O | SMILES: | COc1ccc(cc1)c2cc(N)nc(N)n2 | InChi: | InChI=1S/C11H12N4O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H4,12,13,14,15) | Definition date: | 2020-08-20 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 6-(4-methoxyphenyl)pyrimidine-2,4-diamine |
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| QYK | Name: | 4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Formula: | C8 H6 Br N5 | SMILES: | Cn1c(Br)c(C#N)c2c(N)ncnc12 | InChi: | InChI=1S/C8H6BrN5/c1-14-6(9)4(2-10)5-7(11)12-3-13-8(5)14/h3H,1H3,(H2,11,12,13) | Definition date: | 2020-08-20 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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| QYW | Name: | 4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Formula: | C13 H10 N6 | SMILES: | Cc1nc(N)c2c([nH]c(c3cccnc3)c2C#N)n1 | InChi: | InChI=1S/C13H10N6/c1-7-17-12(15)10-9(5-14)11(19-13(10)18-7)8-3-2-4-16-6-8/h2-4,6H,1H3,(H3,15,17,18,19) | Definition date: | 2020-08-21 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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| QYZ | Name: | (3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one | Formula: | C14 H11 N O2 | SMILES: | Cc1oc(cc1)C=C2C(=O)Nc3ccccc23 | InChi: | InChI=1S/C14H11NO2/c1-9-6-7-10(17-9)8-12-11-4-2-3-5-13(11)15-14(12)16/h2-8H,1H3,(H,15,16)/b12-8+ | Definition date: | 2020-08-21 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | (3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one |
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| QZ2 | Name: | 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid | Formula: | C8 H8 N4 O2 | SMILES: | Cn1cc(cn1)c2cc([nH]n2)C(O)=O | InChi: | InChI=1S/C8H8N4O2/c1-12-4-5(3-9-12)6-2-7(8(13)14)11-10-6/h2-4H,1H3,(H,10,11)(H,13,14) | Definition date: | 2020-08-21 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid |
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| J86 | Name: | [(1S)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid | Formula: | C11 H13 Br N3 O5 P | SMILES: | C[CH](NCc1cc(Br)cc2NC(=O)C(=O)Nc12)[P](O)(O)=O | InChi: | InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1 | Definition date: | 2021-04-23 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | [(1~{S})-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid |
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| QZW | Name: | 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine | Formula: | C17 H15 N5 O S | SMILES: | Cc1nc2[nH]cc(c3ccnc(N)c3)c2c(OCc4cscc4)n1 | InChi: | InChI=1S/C17H15N5OS/c1-10-21-16-15(17(22-10)23-8-11-3-5-24-9-11)13(7-20-16)12-2-4-19-14(18)6-12/h2-7,9H,8H2,1H3,(H2,18,19)(H,20,21,22) | Definition date: | 2020-08-24 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine |
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| R05 | Name: | 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | Formula: | C19 H16 F2 N6 | SMILES: | Cc1nc(NCc2c(F)cccc2F)c3c([nH]cc3c4ccnc(N)c4)n1 | InChi: | InChI=1S/C19H16F2N6/c1-10-26-18-17(12(8-24-18)11-5-6-23-16(22)7-11)19(27-10)25-9-13-14(20)3-2-4-15(13)21/h2-8H,9H2,1H3,(H2,22,23)(H2,24,25,26,27) | Definition date: | 2020-08-24 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
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| UMH | Name: | 6-methoxyquinoline-3-carboxylic acid | Formula: | C11 H9 N O3 | SMILES: | COc1ccc2ncc(cc2c1)C(O)=O | InChi: | InChI=1S/C11H9NO3/c1-15-9-2-3-10-7(5-9)4-8(6-12-10)11(13)14/h2-6H,1H3,(H,13,14) | Definition date: | 2021-03-02 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 6-methoxyquinoline-3-carboxylic acid |
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| S8Q | Name: | 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone | Formula: | C22 H32 N2 O5 | SMILES: | COc1ccc(cc1OC2CCCC2)C(C)=NOCC(=O)N3C[CH](C)O[CH](C)C3 | InChi: | InChI=1S/C22H32N2O5/c1-15-12-24(13-16(2)28-15)22(25)14-27-23-17(3)18-9-10-20(26-4)21(11-18)29-19-7-5-6-8-19/h9-11,15-16,19H,5-8,12-14H2,1-4H3/b23-17-/t15-,16-/m0/s1 | Definition date: | 2020-11-11 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone |
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| YP4 | Name: | N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine | Formula: | C22 H22 F3 N | SMILES: | FC(F)(F)c1cccc(CCCNC(C)c2cccc3ccccc32)c1 | InChi: | InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1 | Definition date: | 2021-03-18 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine |
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| WV1 | Name: | N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide | Formula: | C12 H16 N2 O | SMILES: | c2c(NC(=O)C1CC1)ccc(c2)C(C)N | InChi: | InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m1/s1 | Definition date: | 2020-11-17 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide |
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| WV4 | Name: | N-ethyl-2-fluoro-4-(methylsulfonyl)aniline | Formula: | C9 H12 F N O2 S | SMILES: | c1cc(NCC)c(cc1S(C)(=O)=O)F | InChi: | InChI=1S/C9H12FNO2S/c1-3-11-9-5-4-7(6-8(9)10)14(2,12)13/h4-6,11H,3H2,1-2H3 | Definition date: | 2020-11-17 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | N-ethyl-2-fluoro-4-(methylsulfonyl)aniline |
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| WVD | Name: | 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one | Formula: | C9 H11 N3 O2 S | SMILES: | C2NC(=O)CN(C(c1c(C)ncs1)=O)C2 | InChi: | InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13) | Definition date: | 2020-11-17 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one |
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| UOK | Name: | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile | Formula: | C11 H10 N2 O | SMILES: | COc1ccc2[nH]cc(CC#N)c2c1 | InChi: | InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3 | Definition date: | 2021-03-03 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile |
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| T3K | Name: | 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one | Formula: | C21 H30 N2 O5 | SMILES: | COc1ccc(cc1OC2CCCC2)C(C)=NOCCC(=O)N3CCOCC3 | InChi: | InChI=1S/C21H30N2O5/c1-16(22-27-12-9-21(24)23-10-13-26-14-11-23)17-7-8-19(25-2)20(15-17)28-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3/b22-16+ | Definition date: | 2020-12-14 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one |
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| VYJ | Name: | 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | Formula: | C36 H46 N8 O3 | SMILES: | C1(CCN(CC1)C(c6cc(c(Nc4ncc3N(C(=O)c2ccccc2N(c3n4)C5CCCC5)C)cc6)OCC)=O)N7CCN(C)CC7 | InChi: | InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39) | Definition date: | 2020-09-21 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
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| V4V | Name: | 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | Formula: | C23 H22 N4 O | SMILES: | c4(N)ccc1c(cc(cc1)COc2cc(ccc2)CNCc3ccccn3)n4 | InChi: | InChI=1S/C23H22N4O/c24-23-10-9-19-8-7-18(13-22(19)27-23)16-28-21-6-3-4-17(12-21)14-25-15-20-5-1-2-11-26-20/h1-13,25H,14-16H2,(H2,24,27) | Definition date: | 2020-06-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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| V4Y | Name: | 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | Formula: | C25 H27 N5 O | SMILES: | c1(nc(ccc1)CCCNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N | InChi: | InChI=1S/C25H27N5O/c26-24-8-2-5-21(29-24)6-3-13-28-16-18-4-1-7-22(14-18)31-17-19-9-10-20-11-12-25(27)30-23(20)15-19/h1-2,4-5,7-12,14-15,28H,3,6,13,16-17H2,(H2,26,29)(H2,27,30) | Definition date: | 2020-06-26 | Last modified: | 2021-06-25 | Release date: | 2021-06-30 | Identifier: | 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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