| EOO | Name: | (1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid | Formula: | C19 H22 N2 O5 | SMILES: | COC(=O)N1CCCc2cc(NC(=O)[CH]3CC=CC[CH]3C(O)=O)ccc12 | InChi: | InChI=1S/C19H22N2O5/c1-26-19(25)21-10-4-5-12-11-13(8-9-16(12)21)20-17(22)14-6-2-3-7-15(14)18(23)24/h2-3,8-9,11,14-15H,4-7,10H2,1H3,(H,20,22)(H,23,24)/t14-,15+/m1/s1 | Definition date: | 2020-01-17 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | (1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
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| ERR | Name: | 2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine | Formula: | C24 H22 N4 O3 | SMILES: | COc1cc(cc(OC)c1OC)c2ccnc3cc(nn23)c4ccc5n(C)ccc5c4 | InChi: | InChI=1S/C24H22N4O3/c1-27-10-8-16-11-15(5-6-19(16)27)18-14-23-25-9-7-20(28(23)26-18)17-12-21(29-2)24(31-4)22(13-17)30-3/h5-14H,1-4H3 | Definition date: | 2020-01-21 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | 2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine |
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| FZA | Name: | (13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one | Formula: | C21 H21 N3 O3 | SMILES: | c1ccc5c(c1OC)C(N4C(c2c(c3c(n2)cccc3OC)CC4)N5C)=O | InChi: | InChI=1S/C21H21N3O3/c1-23-14-7-5-9-16(27-3)18(14)21(25)24-11-10-12-17-13(22-19(12)20(23)24)6-4-8-15(17)26-2/h4-9,20,22H,10-11H2,1-3H3/t20-/m0/s1 | Definition date: | 2018-04-27 | Last modified: | 2021-01-15 | Release date: | 2021-01-20 | Identifier: | (13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one |
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| WRY | Name: | 7-fluoro-N,2-dimethylquinoline-3-carboxamide | Formula: | C12 H11 F N2 O | SMILES: | N(C)C(=O)c2cc1ccc(F)cc1nc2C | InChi: | InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16) | Definition date: | 2020-11-04 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | 7-fluoro-N,2-dimethylquinoline-3-carboxamide |
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| VUD | Name: | 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one | Formula: | C19 H16 F N5 O2 | SMILES: | C3(=C(C(Oc2c(nc1c(cc(cc1)F)c2)N)C)NC(=O)C=C3)n4nccc4 | InChi: | InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)/t11-/m0/s1 | Definition date: | 2020-09-15 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one |
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| W2M | Name: | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one | Formula: | C12 H14 N2 O | SMILES: | N3C2(Cc1c(cccc1)NC2=O)CCC3 | InChi: | InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m1/s1 | Definition date: | 2020-09-24 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one |
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| UTJ | Name: | [4-(isoquinolin-8-yl)phenyl]acetonitrile | Formula: | C17 H12 N2 | SMILES: | n2cc3c(c1ccc(cc1)CC#N)cccc3cc2 | InChi: | InChI=1S/C17H12N2/c18-10-8-13-4-6-15(7-5-13)16-3-1-2-14-9-11-19-12-17(14)16/h1-7,9,11-12H,8H2 | Definition date: | 2020-06-02 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | [4-(isoquinolin-8-yl)phenyl]acetonitrile |
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| UTM | Name: | 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline | Formula: | C36 H35 N5 O | SMILES: | N7(Cc1ccc(c(c1)OCCc2ccc(cc2)c3c4c(ccc3)ccnc4)c5cnc6c5cncc6)CCN(C)CC7 | InChi: | InChI=1S/C36H35N5O/c1-40-16-18-41(19-17-40)25-27-7-10-31(33-24-39-35-12-15-38-23-34(33)35)36(21-27)42-20-13-26-5-8-29(9-6-26)30-4-2-3-28-11-14-37-22-32(28)30/h2-12,14-15,21-24,39H,13,16-20,25H2,1H3 | Definition date: | 2020-06-02 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline |
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| VOM | Name: | 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide | Formula: | C21 H18 F N5 O2 | SMILES: | c1c(c(ccc1F)n2nccc2)C(Oc4c(nc3c(cc(cc3)C(N)=O)c4)N)C | InChi: | InChI=1S/C21H18FN5O2/c1-12(16-11-15(22)4-6-18(16)27-8-2-7-25-27)29-19-10-14-9-13(21(24)28)3-5-17(14)26-20(19)23/h2-12H,1H3,(H2,23,26)(H2,24,28)/t12-/m0/s1 | Definition date: | 2020-08-31 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide |
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| VOP | Name: | [6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid | Formula: | C23 H19 F N6 O3 | SMILES: | c1c(c(cc2cnn(c12)CC(O)=O)n3nccc3)C(C)Oc4c(nc5c(c4)cc(cc5)F)N | InChi: | InChI=1S/C23H19FN6O3/c1-13(33-21-9-14-7-16(24)3-4-18(14)28-23(21)25)17-10-19-15(11-27-30(19)12-22(31)32)8-20(17)29-6-2-5-26-29/h2-11,13H,12H2,1H3,(H2,25,28)(H,31,32)/t13-/m0/s1 | Definition date: | 2020-08-31 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | [6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid |
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| WQG | Name: | quinazolin-4(3H)-one | Formula: | C8 H6 N2 O | SMILES: | N2C=Nc1c(cccc1)C2=O | InChi: | InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11) | Definition date: | 2020-11-04 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | quinazolin-4(3H)-one |
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| SYQ | Name: | (S)-N-(1-cyclopropylethyl)-6-methylpicolinamide | Formula: | C12 H16 N2 O | SMILES: | C[CH](NC(=O)c1cccc(C)n1)C2CC2 | InChi: | InChI=1S/C12H16N2O/c1-8-4-3-5-11(13-8)12(15)14-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)/t9-/m0/s1 | Synonyms: | ~{N}-[(1~{S})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide | Definition date: | 2020-12-07 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | ~{N}-[(1~{S})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide |
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| T3Z | Name: | (R)-N-(1-cyclopropylethyl)-6-methylpicolinamide | Formula: | C12 H16 N2 O | SMILES: | C[CH](NC(=O)c1cccc(C)n1)C2CC2 | InChi: | InChI=1S/C12H16N2O/c1-8-4-3-5-11(13-8)12(15)14-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1 | Synonyms: | ~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide | Definition date: | 2020-12-14 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | ~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide |
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| TJD | Name: | methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate | Formula: | C10 H8 N2 O3 | SMILES: | N2=C(C(=O)OC)c1c(cccc1)NC2=O | InChi: | InChI=1S/C10H8N2O3/c1-15-9(13)8-6-4-2-3-5-7(6)11-10(14)12-8/h2-5H,1H3,(H,11,12,14) | Definition date: | 2020-03-23 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate |
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| TJS | Name: | 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid | Formula: | C9 H10 N2 O3 | SMILES: | C1CCCC2=C1NC(N=C2C(O)=O)=O | InChi: | InChI=1S/C9H10N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H2,(H,12,13)(H,10,11,14) | Definition date: | 2020-03-23 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid |
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| TJY | Name: | 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid | Formula: | C9 H6 N2 O3 | SMILES: | O=C2N=C(C(=O)O)c1c(cccc1)N2 | InChi: | InChI=1S/C9H6N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H,(H,12,13)(H,10,11,14) | Definition date: | 2020-03-23 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid |
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| VXY | Name: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate | Formula: | C20 H25 F3 N8 O4 | SMILES: | c1c(cnc(n1)N)c3c(c(nc(N2CCOCC2)n3)NC4(CCN(C(OCC(F)F)=O)C4)CO)F | InChi: | InChI=1S/C20H25F3N8O4/c21-13(22)9-35-19(33)31-2-1-20(10-31,11-32)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-34-6-4-30/h7-8,13,32H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1 | Definition date: | 2020-09-21 | Last modified: | 2021-01-01 | Release date: | 2021-01-06 | Identifier: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate |
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| VY1 | Name: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide | Formula: | C19 H27 N9 O3 S | SMILES: | c1c(cnc(n1)N)c5c2c(N(CC2)C3CCN(C3)S(NC)(=O)=O)nc(N4CCOCC4)n5 | InChi: | InChI=1S/C19H27N9O3S/c1-21-32(29,30)27-4-2-14(12-27)28-5-3-15-16(13-10-22-18(20)23-11-13)24-19(25-17(15)28)26-6-8-31-9-7-26/h10-11,14,21H,2-9,12H2,1H3,(H2,20,22,23)/t14-/m0/s1 | Definition date: | 2020-09-21 | Last modified: | 2021-01-01 | Release date: | 2021-01-06 | Identifier: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide |
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| VY4 | Name: | tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | Formula: | C24 H34 N8 O3 | SMILES: | c1c(cnc(n1)N)c5c2c(N(CC2)C3(CCN(C(OC(C)(C)C)=O)C3)C)nc(N4CCOCC4)n5 | InChi: | InChI=1S/C24H34N8O3/c1-23(2,3)35-22(33)31-8-6-24(4,15-31)32-7-5-17-18(16-13-26-20(25)27-14-16)28-21(29-19(17)32)30-9-11-34-12-10-30/h13-14H,5-12,15H2,1-4H3,(H2,25,26,27)/t24-/m0/s1 | Definition date: | 2020-09-21 | Last modified: | 2021-01-01 | Release date: | 2021-01-06 | Identifier: | tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate |
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| VYP | Name: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine | Formula: | C12 H14 N6 O | SMILES: | c2cnc(N1CCOCC1)nc2c3cnc(nc3)N | InChi: | InChI=1S/C12H14N6O/c13-11-15-7-9(8-16-11)10-1-2-14-12(17-10)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H2,13,15,16) | Definition date: | 2020-09-22 | Last modified: | 2021-01-01 | Release date: | 2021-01-06 | Identifier: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine |
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| NWK | Name: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid | Formula: | C20 H20 Cl2 N4 O5 S | SMILES: | Cc1[nH]c(C(=O)Nc2sc3cc(cc(OCCN4CCOCC4)c3n2)C(O)=O)c(Cl)c1Cl | InChi: | InChI=1S/C20H20Cl2N4O5S/c1-10-14(21)15(22)17(23-10)18(27)25-20-24-16-12(8-11(19(28)29)9-13(16)32-20)31-7-4-26-2-5-30-6-3-26/h8-9,23H,2-7H2,1H3,(H,28,29)(H,24,25,27) | Definition date: | 2020-01-02 | Last modified: | 2020-12-25 | Release date: | 2020-12-30 | Identifier: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid |
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| PW8 | Name: | 4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid | Formula: | C13 H11 Br N2 O3 | SMILES: | OC(=O)CCC(=O)Nc1cc2c(Br)cccc2cn1 | InChi: | InChI=1S/C13H11BrN2O3/c14-10-3-1-2-8-7-15-11(6-9(8)10)16-12(17)4-5-13(18)19/h1-3,6-7H,4-5H2,(H,18,19)(H,15,16,17) | Definition date: | 2020-04-29 | Last modified: | 2020-12-25 | Release date: | 2020-12-30 | Identifier: | 4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid |
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| QLH | Name: | 5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile | Formula: | C16 H15 F3 N4 | SMILES: | N[CH]1C[CH](CN(C1)c2ccc(C#N)c3ncccc23)C(F)(F)F | InChi: | InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1 | Definition date: | 2020-06-29 | Last modified: | 2020-12-25 | Release date: | 2020-12-30 | Identifier: | 5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile |
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| 2JP | Name: | 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid | Formula: | C13 H12 N2 O3 | SMILES: | O=C(O)CCC(=O)Nc2ncc1ccccc1c2 | InChi: | InChI=1S/C13H12N2O3/c16-12(5-6-13(17)18)15-11-7-9-3-1-2-4-10(9)8-14-11/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16) | Definition date: | 2013-11-06 | Last modified: | 2020-12-25 | Release date: | 2020-12-30 | Identifier: | 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid |
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| W7S | Name: | N-benzylpyrazine-2-carboxamide | Formula: | C12 H11 N3 O | SMILES: | c2c(CNC(c1cnccn1)=O)cccc2 | InChi: | InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16) | Definition date: | 2020-09-29 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | N-benzylpyrazine-2-carboxamide |
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