 | | FKE | | Name: | 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide | | Formula: | C18 H20 N2 O3 S | | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(CC2)c3ccccc3 | | InChi: | InChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23) | | Definition date: | 2018-07-17 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide |
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 | | FKK | | Name: | 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide | | Formula: | C18 H20 F N3 O3 S | | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)Cc3ccc(F)cc3 | | InChi: | InChI=1S/C18H20FN3O3S/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(8-4-15)26(20,24)25/h1-8H,9-13H2,(H2,20,24,25) | | Definition date: | 2018-07-17 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide |
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 | | FKQ | | Name: | 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide | | Formula: | C18 H20 N2 O4 S | | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(O)(CC2)c3ccccc3 | | InChi: | InChI=1S/C18H20N2O4S/c19-25(23,24)16-8-6-14(7-9-16)17(21)20-12-10-18(22,11-13-20)15-4-2-1-3-5-15/h1-9,22H,10-13H2,(H2,19,23,24) | | Definition date: | 2018-07-18 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide |
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 | | 50I | | Name: | 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide | | Formula: | C20 H23 N7 O2 | | SMILES: | NC(=N)NC(=O)c1nc(c2oc3ccccc3c2)c(nc1N)N4CCCCCC4 | | InChi: | InChI=1S/C20H23N7O2/c21-17-16(19(28)26-20(22)23)24-15(14-11-12-7-3-4-8-13(12)29-14)18(25-17)27-9-5-1-2-6-10-27/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,21,25)(H4,22,23,26,28) | | Definition date: | 2018-02-15 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-~{N}-carbamimidoyl-pyrazine-2-carboxamide |
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 | | 9UL | | Name: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole | | Formula: | C13 H14 N2 | | SMILES: | CN1CCCC1=C2C=Nc3ccccc23 | | InChi: | InChI=1S/C13H14N2/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3/b13-11+ | | Definition date: | 2018-08-06 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole |
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 | | 94I | | Name: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide | | Formula: | C16 H21 N9 O | | SMILES: | NC(=N)NC(=O)c1nc(c2cncnc2)c(nc1N)N3CCCCCC3 | | InChi: | InChI=1S/C16H21N9O/c17-13-12(15(26)24-16(18)19)22-11(10-7-20-9-21-8-10)14(23-13)25-5-3-1-2-4-6-25/h7-9H,1-6H2,(H2,17,23)(H4,18,19,24,26) | | Definition date: | 2018-02-16 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide |
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 | | 9BF | | Name: | 4-(1~{H}-indol-3-yl)butan-2-one | | Formula: | C12 H13 N O | | SMILES: | CC(=O)CCc1c[nH]c2ccccc12 | | InChi: | InChI=1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3 | | Definition date: | 2018-03-08 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 4-(1~{H}-indol-3-yl)butan-2-one |
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 | | A8O | | Name: | 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile | | Formula: | C20 H23 N3 O2 | | SMILES: | C(N1CCC(CC1)O)C(c2cc(C)n(c2C)c3ccc(C#N)cc3)=O | | InChi: | InChI=1S/C20H23N3O2/c1-14-11-19(20(25)13-22-9-7-18(24)8-10-22)15(2)23(14)17-5-3-16(12-21)4-6-17/h3-6,11,18,24H,7-10,13H2,1-2H3 | | Definition date: | 2018-10-19 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile |
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 | | CGM | | Name: | (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside | | Formula: | C31 H51 N O9 | | SMILES: | C1C(=O)OC(CC)C(C=C(C=CC(=O)C(C)CC(CC=O)C(C(C1O)C)OC2OC(C)C(C(C2O)N(C)C)O)C)C | | InChi: | InChI=1S/C31H51NO9/c1-9-25-19(4)14-17(2)10-11-23(34)18(3)15-22(12-13-33)30(20(5)24(35)16-26(36)40-25)41-31-29(38)27(32(7)8)28(37)21(6)39-31/h10-11,13-14,18-22,24-25,27-31,35,37-38H,9,12,15-16H2,1-8H3/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1 | | Definition date: | 2017-09-22 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside |
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 | | 09I | | Name: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide | | Formula: | C20 H22 F N7 O2 | | SMILES: | NC(=N)NC(=O)c1nc(c2oc3cccc(F)c3c2)c(nc1N)N4CCCCCC4 | | InChi: | InChI=1S/C20H22FN7O2/c21-12-6-5-7-13-11(12)10-14(30-13)15-18(28-8-3-1-2-4-9-28)26-17(22)16(25-15)19(29)27-20(23)24/h5-7,10H,1-4,8-9H2,(H2,22,26)(H4,23,24,27,29) | | Definition date: | 2018-02-16 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide |
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 | | CVQ | | Name: | 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol | | Formula: | C27 H24 F2 N6 O4 | | SMILES: | COc1cnccc1Nc2nc(ncc2OC)c3nn(Cc4c(F)cc(OCCO)cc4F)c5ccccc35 | | InChi: | InChI=1S/C27H24F2N6O4/c1-37-23-13-30-8-7-21(23)32-26-24(38-2)14-31-27(33-26)25-17-5-3-4-6-22(17)35(34-25)15-18-19(28)11-16(12-20(18)29)39-10-9-36/h3-8,11-14,36H,9-10,15H2,1-2H3,(H,30,31,32,33) | | Definition date: | 2017-12-08 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol |
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 | | CVT | | Name: | 3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide | | Formula: | C21 H20 N2 O4 | | SMILES: | COc1cc(cc(OC)c1OC)C(=O)NN=Cc2cccc3ccccc23 | | InChi: | InChI=1S/C21H20N2O4/c1-25-18-11-16(12-19(26-2)20(18)27-3)21(24)23-22-13-15-9-6-8-14-7-4-5-10-17(14)15/h4-13H,1-3H3,(H,23,24)/b22-13+ | | Definition date: | 2017-12-08 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide |
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 | | DZB | | Name: | N-(2,2-Diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide | | Formula: | C17 H15 N3 O2 S | | SMILES: | Oc1nsnc1C(=O)NCC(c2ccccc2)c3ccccc3 | | InChi: | InChI=1S/C17H15N3O2S/c21-16(15-17(22)20-23-19-15)18-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,18,21)(H,20,22) | | Definition date: | 2018-02-06 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | ~{N}-(2,2-diphenylethyl)-4-oxidanyl-1,2,5-thiadiazole-3-carboxamide |
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 | | E2N | | Name: | 1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid | | Formula: | C13 H11 F3 N2 O4 | | SMILES: | Cn1nc(O)c(C(O)=O)c1COc2cccc(c2)C(F)(F)F | | InChi: | InChI=1S/C13H11F3N2O4/c1-18-9(10(12(20)21)11(19)17-18)6-22-8-4-2-3-7(5-8)13(14,15)16/h2-5H,6H2,1H3,(H,17,19)(H,20,21) | | Definition date: | 2018-02-14 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid |
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 | | EAU | | Name: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide | | Formula: | C16 H21 N7 O2 | | SMILES: | NC(=N)NC(=O)c1nc(c2occc2)c(nc1N)N3CCCCCC3 | | InChi: | InChI=1S/C16H21N7O2/c17-13-12(15(24)22-16(18)19)20-11(10-6-5-9-25-10)14(21-13)23-7-3-1-2-4-8-23/h5-6,9H,1-4,7-8H2,(H2,17,21)(H4,18,19,22,24) | | Definition date: | 2018-02-15 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide |
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 | | L76 | | Name: | 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine | | Formula: | C26 H28 F7 N5 O2 | | SMILES: | Fc1ccc(cc1)C2N(CCOC2OC(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cc4c(CN(C)C)nnn4 | | InChi: | InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,23+,24-/m1/s1 | | Definition date: | 2018-07-20 | | Last modified: | 2018-12-07 | | Release date: | 2018-12-12 | | Identifier: | 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine |
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 | | KFD | | Name: | N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide | | Formula: | C29 H29 N7 O3 | | SMILES: | C1CCCCN1c4cc3oc(N2CCOCC2)nc3cc4NC(=O)c5nc(ccc5)c7cc6ccnc6nc7 | | InChi: | InChI=1S/C29H29N7O3/c37-28(22-6-4-5-21(32-22)20-15-19-7-8-30-27(19)31-18-20)33-23-16-24-26(17-25(23)35-9-2-1-3-10-35)39-29(34-24)36-11-13-38-14-12-36/h4-8,15-18H,1-3,9-14H2,(H,30,31)(H,33,37) | | Definition date: | 2018-11-30 | | Last modified: | 2018-12-07 | | Release date: | 2018-12-12 | | Identifier: | N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide |
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 | | KGV | | Name: | 3'-deoxy-3'-(D-phenylalanylamino)adenosine 5'-(dihydrogen phosphate) | | Formula: | C19 H24 N7 O7 P | | SMILES: | c1nc2c(c(n1)N)ncn2C4C(C(NC(=O)C(Cc3ccccc3)N)C(O4)COP(O)(O)=O)O | | InChi: | InChI=1S/C19H24N7O7P/c20-11(6-10-4-2-1-3-5-10)18(28)25-13-12(7-32-34(29,30)31)33-19(15(13)27)26-9-24-14-16(21)22-8-23-17(14)26/h1-5,8-9,11-13,15,19,27H,6-7,20H2,(H,25,28)(H2,21,22,23)(H2,29,30,31)/t11-,12-,13-,15-,19-/m1/s1 | | Definition date: | 2018-12-04 | | Last modified: | 2018-12-07 | | Release date: | 2018-12-12 | | Identifier: | 3'-deoxy-3'-(D-phenylalanylamino)adenosine 5'-(dihydrogen phosphate) |
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 | | HX8 | | Name: | 4-phenoxyphenol | | Formula: | C12 H10 O2 | | SMILES: | c2cccc(Oc1ccc(cc1)O)c2 | | InChi: | InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H | | Definition date: | 2018-01-19 | | Last modified: | 2018-12-07 | | Release date: | 2018-12-12 | | Identifier: | 4-phenoxyphenol |
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 | | 9P6 | | Name: | 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide | | Formula: | C25 H32 N4 O3 S | | SMILES: | COc1ccc(cc1)c2n(ncc2c3scc(CC(=O)NCC4CCOCC4)n3)C(C)(C)C | | InChi: | InChI=1S/C25H32N4O3S/c1-25(2,3)29-23(18-5-7-20(31-4)8-6-18)21(15-27-29)24-28-19(16-33-24)13-22(30)26-14-17-9-11-32-12-10-17/h5-8,15-17H,9-14H2,1-4H3,(H,26,30) | | Definition date: | 2018-06-17 | | Last modified: | 2018-12-07 | | Release date: | 2018-12-12 | | Identifier: | 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide |
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 | | 9RQ | | Name: | [2-oxidanylidene-7-[oxidanyl-[(1~{S})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid | | Formula: | C18 H17 O8 P S | | SMILES: | C[CH](c1ccccc1)[P](O)(=O)Oc2ccc3C(=CC(=O)Oc3c2)C[S](O)(=O)=O | | InChi: | InChI=1S/C18H17O8PS/c1-12(13-5-3-2-4-6-13)27(20,21)26-15-7-8-16-14(11-28(22,23)24)9-18(19)25-17(16)10-15/h2-10,12H,11H2,1H3,(H,20,21)(H,22,23,24)/t12-/m0/s1 | | Definition date: | 2017-07-04 | | Last modified: | 2018-12-07 | | Release date: | 2018-12-12 | | Identifier: | [2-oxidanylidene-7-[oxidanyl-[(1~{S})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid |
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 | | 969 | | Name: | 11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione | | Formula: | C22 H18 O6 | | SMILES: | CCC(C1=CC(c4c(O1)c3C(=O)c2c(O)cccc2C(c3cc4C)=O)=O)(O)C | | InChi: | InChI=1S/C22H18O6/c1-4-22(3,27)15-9-14(24)16-10(2)8-12-18(21(16)28-15)20(26)17-11(19(12)25)6-5-7-13(17)23/h5-9,23,27H,4H2,1-3H3/t22-/m0/s1 | | Definition date: | 2018-01-16 | | Last modified: | 2018-12-07 | | Release date: | 2018-12-12 | | Identifier: | 11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione |
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 | | A8F | | Name: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one | | Formula: | C19 H23 Cl N2 O | | SMILES: | O=C(c1c(n(c(c1)C)c2ccc(cc2)Cl)C)CN3CCCCC3 | | InChi: | InChI=1S/C19H23ClN2O/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17/h6-9,12H,3-5,10-11,13H2,1-2H3 | | Definition date: | 2018-10-19 | | Last modified: | 2018-12-07 | | Release date: | 2018-12-12 | | Identifier: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one |
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 | | A8L | | Name: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one | | Formula: | C19 H23 Cl N2 O2 | | SMILES: | c1c(ccc(c1)n3c(C)cc(C(=O)CN2CCC(CC2)O)c3C)Cl | | InChi: | InChI=1S/C19H23ClN2O2/c1-13-11-18(19(24)12-21-9-7-17(23)8-10-21)14(2)22(13)16-5-3-15(20)4-6-16/h3-6,11,17,23H,7-10,12H2,1-2H3 | | Definition date: | 2018-10-19 | | Last modified: | 2018-12-07 | | Release date: | 2018-12-12 | | Identifier: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one |
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 | | A9R | | Name: | 7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine | | Formula: | C17 H15 N5 O | | SMILES: | n1cc(cn1C)c2cn3c(cnc3cc2OC)c4ncccc4 | | InChi: | InChI=1S/C17H15N5O/c1-21-10-12(8-20-21)13-11-22-15(14-5-3-4-6-18-14)9-19-17(22)7-16(13)23-2/h3-11H,1-2H3 | | Definition date: | 2018-10-28 | | Last modified: | 2018-12-07 | | Release date: | 2018-12-12 | | Identifier: | 7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine |
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