 | | 36N | | 表記: | 5H-pyrrolo[2,3-b]pyrazine | | 組成式: | C6 H5 N3 | | SMILES: | n1c2c(ncc1)ccn2 | | InChi: | InChI=1S/C6H5N3/c1-2-8-6-5(1)7-3-4-9-6/h1-4H,(H,8,9) | | 定義日: | 2014-06-25 | | 最終更新日: | 2015-09-18 | | 公開日: | 2015-09-23 | | 識別子（ID）: | 5H-pyrrolo[2,3-b]pyrazine |
|
 | | 4UX | | 表記: | (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | | 組成式: | C28 H40 N4 O7 S | | SMILES: | Nc1ccc(cc1)S(=O)(N(CC(C(Cc2ccccc2)NC(=O)OC4C3C(COC3OC4)NC)O)CC(C)C)=O | | InChi: | InChI=1S/C28H40N4O7S/c1-18(2)14-32(40(35,36)21-11-9-20(29)10-12-21)15-24(33)22(13-19-7-5-4-6-8-19)31-28(34)39-25-17-38-27-26(25)23(30-3)16-37-27/h4-12,18,22-27,30,33H,13-17,29H2,1-3H3,(H,31,34)/t22-,23-,24+,25-,26-,27+/m0/s1 | | 定義日: | 2015-06-02 | | 最終更新日: | 2015-09-04 | | 公開日: | 2015-09-09 | | 識別子（ID）: | (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
|
 | | 4UY | | 表記: | (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | | 組成式: | C29 H41 N3 O8 S | | SMILES: | c1(ccc(cc1)S(=O)(N(CC(C)C)CC(O)C(NC(OC2COC3OCC(C23)NC)=O)Cc4ccccc4)=O)OC | | InChi: | InChI=1S/C29H41N3O8S/c1-19(2)15-32(41(35,36)22-12-10-21(37-4)11-13-22)16-25(33)23(14-20-8-6-5-7-9-20)31-29(34)40-26-18-39-28-27(26)24(30-3)17-38-28/h5-13,19,23-28,30,33H,14-18H2,1-4H3,(H,31,34)/t23-,24-,25+,26-,27-,28+/m0/s1 | | 定義日: | 2015-06-02 | | 最終更新日: | 2015-09-04 | | 公開日: | 2015-09-09 | | 識別子（ID）: | (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate |
|
 | | NL4 | | 表記: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide | | 組成式: | C24 H23 Cl N8 O | | SMILES: | CN(C)C(=O)c1cccc(Cn2cc(cn2)c3c(Cl)cnc4nc([nH]c34)c5cn(C)nc5C)c1 | | InChi: | InChI=1S/C24H23ClN8O/c1-14-18(13-32(4)30-14)22-28-21-20(19(25)10-26-23(21)29-22)17-9-27-33(12-17)11-15-6-5-7-16(8-15)24(34)31(2)3/h5-10,12-13H,11H2,1-4H3,(H,26,28,29) | | 定義日: | 2015-07-24 | | 最終更新日: | 2015-08-28 | | 公開日: | 2015-09-02 | | 識別子（ID）: | 3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]-N,N-dimethyl-benzamide |
|
 | | 7HD | | 表記: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole | | 組成式: | C19 H17 Cl N8 O | | SMILES: | Cn1cc(c(C)n1)c2[nH]c3c(ncc(Cl)c3c4cnn(Cc5cc(C)on5)c4)n2 | | InChi: | InChI=1S/C19H17ClN8O/c1-10-4-13(26-29-10)8-28-7-12(5-22-28)16-15(20)6-21-19-17(16)23-18(24-19)14-9-27(3)25-11(14)2/h4-7,9H,8H2,1-3H3,(H,21,23,24) | | 定義日: | 2015-07-24 | | 最終更新日: | 2015-08-28 | | 公開日: | 2015-09-02 | | 識別子（ID）: | 3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]-5-methyl-1,2-oxazole |
|
 | | 5GX | | 表記: | 7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine | | 組成式: | C21 H18 Cl N7 | | SMILES: | Cn1cc(c(C)n1)c2[nH]c3ncc(Cl)c(c4cnn(Cc5ccccc5)c4)c3n2 | | InChi: | InChI=1S/C21H18ClN7/c1-13-16(12-28(2)27-13)20-25-19-18(17(22)9-23-21(19)26-20)15-8-24-29(11-15)10-14-6-4-3-5-7-14/h3-9,11-12H,10H2,1-2H3,(H,23,25,26) | | 定義日: | 2015-07-24 | | 最終更新日: | 2015-08-28 | | 公開日: | 2015-09-02 | | 識別子（ID）: | 6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-7-[1-(phenylmethyl)pyrazol-4-yl]-3H-imidazo[4,5-b]pyridine |
|
 | | 6F2 | | 表記: | [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone | | 組成式: | C27 H28 Cl N9 O | | SMILES: | CN1CCN(CC1)C(=O)c2cccc(Cn3cc(cn3)c4c(Cl)cnc5[nH]c(nc45)c6cn(C)nc6C)c2 | | InChi: | InChI=1S/C27H28ClN9O/c1-17-21(16-35(3)33-17)25-31-24-23(22(28)13-29-26(24)32-25)20-12-30-37(15-20)14-18-5-4-6-19(11-18)27(38)36-9-7-34(2)8-10-36/h4-6,11-13,15-16H,7-10,14H2,1-3H3,(H,29,31,32) | | 定義日: | 2015-07-24 | | 最終更新日: | 2015-08-28 | | 公開日: | 2015-09-02 | | 識別子（ID）: | [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone |
|
 | | EFB | | 表記: | oligomycin B | | 組成式: | C45 H72 O12 | | SMILES: | CC1C3(OC2C(C1OC(=O)C=CC(C)C(O)C(C)C(=O)C(C(O)C(C)C(=O)C(C(O)C(CC=CC=CC(CC)CC2)C)(C)O)C)C)C(CC(C)C(O3)CC(C)O)=O | | InChi: | InChI=1S/C45H72O12/c1-12-33-17-15-13-14-16-25(3)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)24(2)18-21-37(48)55-41-28(6)34(20-19-33)56-45(32(41)10)36(47)22-26(4)35(57-45)23-27(5)46/h13-15,17-18,21,24-35,38,40-42,46,49,51-52,54H,12,16,19-20,22-23H2,1-11H3/b14-13+,17-15+,21-18+/t24-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35-,38+,40+,41+,42-,44+,45+/m0/s1 | | 定義日: | 2015-05-29 | | 最終更新日: | 2015-08-21 | | 公開日: | 2015-08-26 | | 識別子（ID）: | (1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27S,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-5',6'-dihydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,3',9,13(4'H)-tetrone |
|
 | | 50O | | 表記: | N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide | | 組成式: | C20 H26 N6 O3 | | SMILES: | C(N(C1CC1)C2CC2)(c3n(c5c(c3)c4c(ncn4C)c(n5)NC)CC(CO)O)=O | | InChi: | InChI=1S/C20H26N6O3/c1-21-18-16-17(24(2)10-22-16)14-7-15(25(19(14)23-18)8-13(28)9-27)20(29)26(11-3-4-11)12-5-6-12/h7,10-13,27-28H,3-6,8-9H2,1-2H3,(H,21,23)/t13-/m0/s1 | | 定義日: | 2015-07-08 | | 最終更新日: | 2015-08-21 | | 公開日: | 2015-08-26 | | 識別子（ID）: | N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide |
|
 | | 50V | | 表記: | N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide | | 組成式: | C23 H28 N8 O | | SMILES: | n1(c4c(cc1C(=O)N(C2CC2)C3CC3)c6c(c(n4)Nc5cc(C)n(C)n5)ncn6C)CC | | InChi: | InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27) | | 定義日: | 2015-07-08 | | 最終更新日: | 2015-08-21 | | 公開日: | 2015-08-26 | | 識別子（ID）: | N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide |
|
 | | 50W | | 表記: | N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide | | 組成式: | C23 H27 N7 O S | | SMILES: | C(c4n(CC)c1c(c3c(c(n1)Nc2sc(c(n2)C)C)ncn3C)c4)(=O)N(C5CC5)C6CC6 | | InChi: | InChI=1S/C23H27N7OS/c1-5-29-17(22(31)30(14-6-7-14)15-8-9-15)10-16-19-18(24-11-28(19)4)20(26-21(16)29)27-23-25-12(2)13(3)32-23/h10-11,14-15H,5-9H2,1-4H3,(H,25,26,27) | | 定義日: | 2015-07-08 | | 最終更新日: | 2015-08-21 | | 公開日: | 2015-08-26 | | 識別子（ID）: | N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide |
|
 | | 50Y | | 表記: | N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide | | 組成式: | C22 H30 N6 O2 | | SMILES: | CCn5c1c(c2c(c(n1)NCCCOC)ncn2C)cc5C(=O)N(C3CC3)C4CC4 | | InChi: | InChI=1S/C22H30N6O2/c1-4-27-17(22(29)28(14-6-7-14)15-8-9-15)12-16-19-18(24-13-26(19)2)20(25-21(16)27)23-10-5-11-30-3/h12-15H,4-11H2,1-3H3,(H,23,25) | | 定義日: | 2015-07-08 | | 最終更新日: | 2015-08-21 | | 公開日: | 2015-08-26 | | 識別子（ID）: | N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide |
|
 | | P31 | | 表記: | 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine | | 組成式: | C20 H15 Cl F3 N5 | | SMILES: | FC(F)(F)c1ncc(cc1)CNc2ncc(cc2)Cc4c3cc(Cl)cnc3nc4 | | InChi: | InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29) | | 定義日: | 2014-09-03 | | 最終更新日: | 2015-08-07 | | 公開日: | 2015-08-12 | | 識別子（ID）: | 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine |
|
 | | 0E1 | | 表記: | (7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile | | 組成式: | C12 H14 N2 O2 | | SMILES: | N#Cc1cc2c(nc1O)CC(OC2)C(C)C | | InChi: | InChI=1S/C12H14N2O2/c1-7(2)11-4-10-9(6-16-11)3-8(5-13)12(15)14-10/h3,7,11H,4,6H2,1-2H3,(H,14,15)/t11-/m1/s1 | | 定義日: | 2012-08-01 | | 最終更新日: | 2015-08-07 | | 公開日: | 2015-08-12 | | 識別子（ID）: | (7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile |
|
 | | 40K | | 表記: | [(7S)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid | | 組成式: | C16 H11 Cl N4 O2 S2 | | SMILES: | Clc4ccc(C1=Nn2c(nnc2SC1CC(=O)O)c3sccc3)cc4 | | InChi: | InChI=1S/C16H11ClN4O2S2/c17-10-5-3-9(4-6-10)14-12(8-13(22)23)25-16-19-18-15(21(16)20-14)11-2-1-7-24-11/h1-7,12H,8H2,(H,22,23)/t12-/m0/s1 | | 定義日: | 2015-01-05 | | 最終更新日: | 2015-08-07 | | 公開日: | 2015-08-12 | | 識別子（ID）: | [(7S)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid |
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 | | 42A | | 表記: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile | | 組成式: | C8 H5 N3 | | SMILES: | N#Cc2c1cccnc1nc2 | | InChi: | InChI=1S/C8H5N3/c9-4-6-5-11-8-7(6)2-1-3-10-8/h1-3,5H,(H,10,11) | | 定義日: | 2015-01-19 | | 最終更新日: | 2015-08-07 | | 公開日: | 2015-08-12 | | 識別子（ID）: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile |
|
 | | 467 | | 表記: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide | | 組成式: | C17 H15 Cl F4 N6 O | | SMILES: | Fc1c(nc(nc1)c3c2cc(Cl)cnc2nc3)NC(C)(C)C(NCC(F)(F)F)=O | | InChi: | InChI=1S/C17H15ClF4N6O/c1-16(2,15(29)26-7-17(20,21)22)28-14-11(19)6-25-13(27-14)10-5-24-12-9(10)3-8(18)4-23-12/h3-6H,7H2,1-2H3,(H,23,24)(H,26,29)(H,25,27,28) | | 定義日: | 2015-03-20 | | 最終更新日: | 2015-08-07 | | 公開日: | 2015-08-12 | | 識別子（ID）: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide |
|
 | | 4HZ | | 表記: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide | | 組成式: | C16 H13 Cl F4 N6 O | | SMILES: | C(Nc1c(F)cnc(n1)c2cnc3c2cc(cn3)Cl)(C)C(NCC(F)(F)F)=O | | InChi: | InChI=1S/C16H13ClF4N6O/c1-7(15(28)25-6-16(19,20)21)26-14-11(18)5-24-13(27-14)10-4-23-12-9(10)2-8(17)3-22-12/h2-5,7H,6H2,1H3,(H,22,23)(H,25,28)(H,24,26,27)/t7-/m0/s1 | | 定義日: | 2015-03-20 | | 最終更新日: | 2015-08-07 | | 公開日: | 2015-08-12 | | 識別子（ID）: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide |
|
 | | 3VT | | 表記: | [(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid | | 組成式: | C15 H15 B N2 O5 | | SMILES: | O=C(O)CC3OB(O)c2cc(Oc1nccnc1)c(c(c23)C)C | | InChi: | InChI=1S/C15H15BN2O5/c1-8-9(2)15-10(16(21)23-12(15)6-14(19)20)5-11(8)22-13-7-17-3-4-18-13/h3-5,7,12,21H,6H2,1-2H3,(H,19,20)/t12-/m1/s1 | | 定義日: | 2014-11-19 | | 最終更新日: | 2015-07-31 | | 公開日: | 2015-08-05 | | 識別子（ID）: | [(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid |
|
 | | 3VU | | 表記: | {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid | | 組成式: | C13 H14 B N3 O5 S | | SMILES: | O=C(O)CC3OB(O)c2cc(Oc1nc(ns1)N)c(c(c23)C)C | | InChi: | InChI=1S/C13H14BN3O5S/c1-5-6(2)11-7(14(20)22-9(11)4-10(18)19)3-8(5)21-13-16-12(15)17-23-13/h3,9,20H,4H2,1-2H3,(H2,15,17)(H,18,19)/t9-/m1/s1 | | 定義日: | 2014-11-19 | | 最終更新日: | 2015-07-31 | | 公開日: | 2015-08-05 | | 識別子（ID）: | {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid |
|
 | | 4PV | | 表記: | 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | | 組成式: | C18 H18 F2 N4 | | SMILES: | C1CN(CCN1C)C=4c2c(ccc(F)c2)Nc3ccc(F)cc3N=4 | | InChi: | InChI=1S/C18H18F2N4/c1-23-6-8-24(9-7-23)18-14-10-12(19)2-4-15(14)21-16-5-3-13(20)11-17(16)22-18/h2-5,10-11,21H,6-9H2,1H3 | | 定義日: | 2015-05-04 | | 最終更新日: | 2015-07-31 | | 公開日: | 2015-08-05 | | 識別子（ID）: | 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine |
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 | | 4TO | | 表記: | (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide | | 組成式: | C26 H20 F3 N5 O2 | | SMILES: | FC(F)(F)c1cc(ccc1)c2ccc3c(n2)N(C4CN3CC4)C(=O)Nc5cc(ccc5)c6ocnc6 | | InChi: | InChI=1S/C26H20F3N5O2/c27-26(28,29)18-5-1-3-16(11-18)21-7-8-22-24(32-21)34(20-9-10-33(22)14-20)25(35)31-19-6-2-4-17(12-19)23-13-30-15-36-23/h1-8,11-13,15,20H,9-10,14H2,(H,31,35)/t20-/m0/s1 | | 定義日: | 2015-05-22 | | 最終更新日: | 2015-07-10 | | 公開日: | 2015-07-15 | | 識別子（ID）: | (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide |
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 | | 4TQ | | 表記: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide | | 組成式: | C26 H22 F3 N5 O2 | | SMILES: | FC(F)(F)c1cc(ccc1)c2ccc3c(n2)N(C(CN3C)C)C(=O)Nc4cc(ccc4)c5ocnc5 | | InChi: | InChI=1S/C26H22F3N5O2/c1-16-14-33(2)22-10-9-21(17-5-3-7-19(11-17)26(27,28)29)32-24(22)34(16)25(35)31-20-8-4-6-18(12-20)23-13-30-15-36-23/h3-13,15-16H,14H2,1-2H3,(H,31,35)/t16-/m0/s1 | | 定義日: | 2015-05-22 | | 最終更新日: | 2015-07-10 | | 公開日: | 2015-07-15 | | 識別子（ID）: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide |
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 | | 4LD | | 表記: | 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole | | 組成式: | C24 H23 N5 O2 | | SMILES: | COc4cc2c1c(nccc1nc2cc4c3c(C)onc3C)c5c(nnc5C6CC6)C | | InChi: | InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28) | | 定義日: | 2015-04-10 | | 最終更新日: | 2015-06-26 | | 公開日: | 2015-07-01 | | 識別子（ID）: | 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole |
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 | | 4OQ | | 表記: | 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine | | 組成式: | C20 H22 Cl F N4 | | SMILES: | C(C)N3c1ccc(cc1N=C(c2c3ccc(Cl)c2)N4CCN(C)CC4)F | | InChi: | InChI=1S/C20H22ClFN4/c1-3-26-18-6-4-14(21)12-16(18)20(25-10-8-24(2)9-11-25)23-17-13-15(22)5-7-19(17)26/h4-7,12-13H,3,8-11H2,1-2H3 | | 定義日: | 2015-04-29 | | 最終更新日: | 2015-06-19 | | 公開日: | 2015-06-24 | | 識別子（ID）: | 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine |
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