![4HZ 4HZ](https://data.pdbj.org/pdbjplus/data/cc/svg/4HZ.svg) | 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 |
|
![4PX 4PX](https://data.pdbj.org/pdbjplus/data/cc/svg/4PX.svg) | 4PX | 表記: | 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione | 組成式: | C19 H18 N4 O3 | SMILES: | n3c2N(c1ccccc1)C(=O)C=4N(C(CO)(C)C)C(=O)NC=4c2ccc3 | InChi: | InChI=1S/C19H18N4O3/c1-19(2,11-24)23-15-14(21-18(23)26)13-9-6-10-20-16(13)22(17(15)25)12-7-4-3-5-8-12/h3-10,24H,11H2,1-2H3,(H,21,26) | 定義日: | 2015-05-06 | 最終更新日: | 2015-08-07 | 公開日: | 2015-08-12 | 識別子(ID): | 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione |
|
![4Q0 4Q0](https://data.pdbj.org/pdbjplus/data/cc/svg/4Q0.svg) | 4Q0 | 表記: | 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione | 組成式: | C28 H25 N3 O5 | SMILES: | c1c5c(ccc1)C(=O)N(c2ccc(cc2)OC)C(CCN4C(=O)c3cccc(c3C4=O)OC(C)C)=N5 | InChi: | InChI=1S/C28H25N3O5/c1-17(2)36-23-10-6-8-21-25(23)28(34)30(26(21)32)16-15-24-29-22-9-5-4-7-20(22)27(33)31(24)18-11-13-19(35-3)14-12-18/h4-14,17H,15-16H2,1-3H3 | 定義日: | 2015-05-06 | 最終更新日: | 2015-08-07 | 公開日: | 2015-08-12 | 識別子(ID): | 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione |
|
![0E0 0E0](https://data.pdbj.org/pdbjplus/data/cc/svg/0E0.svg) | 0E0 | 表記: | (3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one | 組成式: | C16 H19 N O3 | SMILES: | O=C2c1c(cccc1)C3=C(N2)CC(OC3)C(C)(C)CO | InChi: | InChI=1S/C16H19NO3/c1-16(2,9-18)14-7-13-12(8-20-14)10-5-3-4-6-11(10)15(19)17-13/h3-6,14,18H,7-9H2,1-2H3,(H,17,19)/t14-/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): | (3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one |
|
![0E1 0E1](https://data.pdbj.org/pdbjplus/data/cc/svg/0E1.svg) | 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 |
|
![4OZ 4OZ](https://data.pdbj.org/pdbjplus/data/cc/svg/4OZ.svg) | 4OZ | 表記: | methyl N-(2,3-dihydroxybenzoyl)-O-formyl-L-serinate | 組成式: | C12 H13 N O7 | SMILES: | COC(C(COC=O)NC(c1c(c(ccc1)O)O)=O)=O | InChi: | InChI=1S/C12H13NO7/c1-19-12(18)8(5-20-6-14)13-11(17)7-3-2-4-9(15)10(7)16/h2-4,6,8,15-16H,5H2,1H3,(H,13,17)/t8-/m0/s1 | 定義日: | 2015-04-29 | 最終更新日: | 2015-07-31 | 公開日: | 2015-08-05 | 識別子(ID): | methyl N-(2,3-dihydroxybenzoyl)-O-formyl-L-serinate |
|
![4QA 4QA](https://data.pdbj.org/pdbjplus/data/cc/svg/4QA.svg) | 4QA | 表記: | 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one | 組成式: | C29 H37 F N4 O2 | SMILES: | C24(CCN(Cc1cc(ccc1)OC(C)C)CC2)C(NC3CCCCC3)=NC(N4c5cccc(c5)F)=O | InChi: | InChI=1S/C29H37FN4O2/c1-21(2)36-26-13-6-8-22(18-26)20-33-16-14-29(15-17-33)27(31-24-10-4-3-5-11-24)32-28(35)34(29)25-12-7-9-23(30)19-25/h6-9,12-13,18-19,21,24H,3-5,10-11,14-17,20H2,1-2H3,(H,31,32,35) | 定義日: | 2015-05-08 | 最終更新日: | 2015-07-31 | 公開日: | 2015-08-05 | 識別子(ID): | 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one |
|
![4QD 4QD](https://data.pdbj.org/pdbjplus/data/cc/svg/4QD.svg) | 4QD | 表記: | 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one | 組成式: | C29 H38 F N5 O2 | SMILES: | C23(CCN(Cc1cc(ccc1)OC(C)CN)CC2)N(C(N=C3NC4CCCCC4)=O)c5cccc(c5)F | InChi: | InChI=1S/C29H38FN5O2/c1-21(19-31)37-26-12-5-7-22(17-26)20-34-15-13-29(14-16-34)27(32-24-9-3-2-4-10-24)33-28(36)35(29)25-11-6-8-23(30)18-25/h5-8,11-12,17-18,21,24H,2-4,9-10,13-16,19-20,31H2,1H3,(H,32,33,36)/t21-/m0/s1 | 定義日: | 2015-05-08 | 最終更新日: | 2015-07-31 | 公開日: | 2015-08-05 | 識別子(ID): | 8-(3-{[(2S)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one |
|
![IXV IXV](https://data.pdbj.org/pdbjplus/data/cc/svg/IXV.svg) | IXV | 表記: | N-benzyl-4-phenyl-2-[(N-phenyl-beta-alanyl)amino]thiophene-3-carboxamide | 組成式: | C27 H25 N3 O2 S | SMILES: | O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)CCNc4ccccc4 | InChi: | InChI=1S/C27H25N3O2S/c31-24(16-17-28-22-14-8-3-9-15-22)30-27-25(23(19-33-27)21-12-6-2-7-13-21)26(32)29-18-20-10-4-1-5-11-20/h1-15,19,28H,16-18H2,(H,29,32)(H,30,31) | 定義日: | 2014-09-29 | 最終更新日: | 2015-07-31 | 公開日: | 2015-08-05 | 識別子(ID): | N-benzyl-4-phenyl-2-[(N-phenyl-beta-alanyl)amino]thiophene-3-carboxamide |
|
![O53 O53](https://data.pdbj.org/pdbjplus/data/cc/svg/O53.svg) | O53 | 表記: | (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one | 組成式: | C16 H17 N3 O | SMILES: | CC(C)c1ccc(cc1)[CH]2NC(=O)c3cccnc3N2 | InChi: | InChI=1S/C16H17N3O/c1-10(2)11-5-7-12(8-6-11)14-18-15-13(16(20)19-14)4-3-9-17-15/h3-10,14H,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1 | 定義日: | 2015-03-06 | 最終更新日: | 2015-07-24 | 公開日: | 2015-07-29 | 識別子(ID): | (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one |
|
![PUS PUS](https://data.pdbj.org/pdbjplus/data/cc/svg/PUS.svg) | PUS | 表記: | (E)-O-(carbamoylamino)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine | 組成式: | C12 H17 N4 O9 P | SMILES: | N(/C(CONC(N)=O)C(O)=O)=Cc1c(c(ncc1COP(O)(=O)O)C)O | InChi: | InChI=1S/C12H17N4O9P/c1-6-10(17)8(7(2-14-6)4-25-26(21,22)23)3-15-9(11(18)19)5-24-16-12(13)20/h2-3,9,17H,4-5H2,1H3,(H,18,19)(H3,13,16,20)(H2,21,22,23)/b15-3+/t9-/m0/s1 | 定義日: | 2015-03-18 | 最終更新日: | 2015-07-24 | 公開日: | 2015-07-29 | 識別子(ID): | (E)-O-(carbamoylamino)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine |
|
![33V 33V](https://data.pdbj.org/pdbjplus/data/cc/svg/33V.svg) | 33V | 表記: | (3R,6R,7S)-7-[(2R,3aR)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid | 組成式: | C13 H23 N3 O3 S2 | SMILES: | O=C(O)C1NCC(C(SC1)C2NN3C(C2)CCSC3)CO | InChi: | InChI=1S/C13H23N3O3S2/c17-5-8-4-14-11(13(18)19)6-21-12(8)10-3-9-1-2-20-7-16(9)15-10/h8-12,14-15,17H,1-7H2,(H,18,19)/t8-,9+,10-,11+,12+/m1/s1 | 定義日: | 2014-06-13 | 最終更新日: | 2015-07-17 | 公開日: | 2015-07-22 | 識別子(ID): | (3R,6R,7S)-7-[(2R,3aR)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid |
|
![4T0 4T0](https://data.pdbj.org/pdbjplus/data/cc/svg/4T0.svg) | 4T0 | 表記: | N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide | 組成式: | C32 H35 N5 O4 S | SMILES: | c1(cc2ccnc(c2cc1)N)NC(C(N4CCCC4c3cc(NC(C)=O)ccc3S(=O)(=O)C(C)C)=O)c5ccccc5 | InChi: | InChI=1S/C32H35N5O4S/c1-20(2)42(40,41)29-14-12-25(35-21(3)38)19-27(29)28-10-7-17-37(28)32(39)30(22-8-5-4-6-9-22)36-24-11-13-26-23(18-24)15-16-34-31(26)33/h4-6,8-9,11-16,18-20,28,30,36H,7,10,17H2,1-3H3,(H2,33,34)(H,35,38)/t28-,30-/m1/s1 | 定義日: | 2015-05-21 | 最終更新日: | 2015-07-17 | 公開日: | 2015-07-22 | 識別子(ID): | N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide |
|
![48X 48X](https://data.pdbj.org/pdbjplus/data/cc/svg/48X.svg) | 48X | 表記: | 3-(phosphonooxy)propanoic acid | 組成式: | C3 H7 O6 P | SMILES: | O=P(OCCC(=O)O)(O)O | InChi: | InChI=1S/C3H7O6P/c4-3(5)1-2-9-10(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8) | 定義日: | 2015-02-14 | 最終更新日: | 2015-07-10 | 公開日: | 2015-07-15 | 識別子(ID): | 3-(phosphonooxy)propanoic acid |
|
![4DV 4DV](https://data.pdbj.org/pdbjplus/data/cc/svg/4DV.svg) | 4DV | 表記: | 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid | 組成式: | C34 H31 Cl F N O2 | SMILES: | O=C(O)C(Cc5n(Cc1ccc(Cl)cc1)c2c(cc(cc2)c3ccc(c(c3)F)c4ccccc4C)c5C)(C)C | InChi: | InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39) | 定義日: | 2015-03-04 | 最終更新日: | 2015-07-10 | 公開日: | 2015-07-15 | 識別子(ID): | 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid |
|
![4GJ 4GJ](https://data.pdbj.org/pdbjplus/data/cc/svg/4GJ.svg) | 4GJ | 表記: | 3-(pyridin-4-yldisulfanyl)-L-alanine | 組成式: | C8 H10 N2 O2 S2 | SMILES: | n1ccc(SSCC(N)C(O)=O)cc1 | InChi: | InChI=1S/C8H10N2O2S2/c9-7(8(11)12)5-13-14-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1 | 定義日: | 2015-03-17 | 最終更新日: | 2015-07-10 | 公開日: | 2015-07-15 | 識別子(ID): | 3-(pyridin-4-yldisulfanyl)-L-alanine |
|
![4PF 4PF](https://data.pdbj.org/pdbjplus/data/cc/svg/4PF.svg) | 4PF | 表記: | (2R)-1-[(2R)-2-(2-methoxyethoxy)propoxy]propan-2-amine | 組成式: | C9 H21 N O3 | SMILES: | COCCOC(C)COCC(C)N | InChi: | InChI=1S/C9H21NO3/c1-8(10)6-12-7-9(2)13-5-4-11-3/h8-9H,4-7,10H2,1-3H3/t8-,9-/m1/s1 | 定義日: | 2015-05-01 | 最終更新日: | 2015-07-10 | 公開日: | 2015-07-15 | 識別子(ID): | (2R)-1-[(2R)-2-(2-methoxyethoxy)propoxy]propan-2-amine |
|
![N1P N1P](https://data.pdbj.org/pdbjplus/data/cc/svg/N1P.svg) | N1P | 表記: | 1-nitropropane | 組成式: | C3 H7 N O2 | SMILES: | [O-][N+](=O)CCC | InChi: | InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3 | 定義日: | 2014-06-10 | 最終更新日: | 2015-07-02 | 公開日: | 2015-07-07 | 識別子(ID): | 1-nitropropane |
|
![4Y8 4Y8](https://data.pdbj.org/pdbjplus/data/cc/svg/4Y8.svg) | 4Y8 | 表記: | 1-hydroxypropan-2-one | 組成式: | C3 H6 O2 | SMILES: | O=C(C)CO | InChi: | InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3 | 定義日: | 2015-03-05 | 最終更新日: | 2015-06-26 | 公開日: | 2015-07-01 | 識別子(ID): | 1-hydroxypropan-2-one |
|
![4NK 4NK](https://data.pdbj.org/pdbjplus/data/cc/svg/4NK.svg) | 4NK | 表記: | (1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium | 組成式: | C17 H29 N5 O8 S | SMILES: | OC(C(CCC(=O)NC(C(O)=O)CS(=O)c1ncc(n1)CC(C(=O)O)[N+](C)(C)C)[NH3+])=O | InChi: | InChI=1S/C17H27N5O8S/c1-22(2,3)12(16(28)29)6-9-7-19-17(20-9)31(30)8-11(15(26)27)21-13(23)5-4-10(18)14(24)25/h7,10-12H,4-6,8,18H2,1-3H3,(H4-,19,20,21,23,24,25,26,27,28,29)/p+2/t10-,11-,12-,31-/m0/s1 | 定義日: | 2015-04-21 | 最終更新日: | 2015-06-26 | 公開日: | 2015-07-01 | 識別子(ID): | (1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium |
|
![BNM BNM](https://data.pdbj.org/pdbjplus/data/cc/svg/BNM.svg) | BNM | 表記: | N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide | 組成式: | C18 H21 N3 O4 S2 | SMILES: | O=C4SC=C(c2cc(cc(NC(=O)C1CC1)c2)S(=O)(=O)NC3CCCC3)N4 | InChi: | InChI=1S/C18H21N3O4S2/c22-17(11-5-6-11)19-14-7-12(16-10-26-18(23)20-16)8-15(9-14)27(24,25)21-13-3-1-2-4-13/h7-11,13,21H,1-6H2,(H,19,22)(H,20,23) | 定義日: | 2014-07-15 | 最終更新日: | 2015-06-26 | 公開日: | 2015-07-01 | 識別子(ID): | N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide |
|
![48R 48R](https://data.pdbj.org/pdbjplus/data/cc/svg/48R.svg) | 48R | 表記: | (2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide | 組成式: | C18 H18 N2 O4 S | SMILES: | O=S(=O)(NC(=O)C(C)CON=C3/c1ccccc1c2c3cccc2)C | InChi: | InChI=1S/C18H18N2O4S/c1-12(18(21)20-25(2,22)23)11-24-19-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m1/s1 | 定義日: | 2014-06-12 | 最終更新日: | 2015-06-19 | 公開日: | 2015-06-24 | 識別子(ID): | (2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide |
|
![41D 41D](https://data.pdbj.org/pdbjplus/data/cc/svg/41D.svg) | 41D | 表記: | 3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate | 組成式: | C10 H15 N O4 S | SMILES: | [O-]S(=O)(=O)CCC[n+]1ccccc1CCO | InChi: | InChI=1S/C10H15NO4S/c12-8-5-10-4-1-2-6-11(10)7-3-9-16(13,14)15/h1-2,4,6,12H,3,5,7-9H2 | 定義日: | 2015-01-09 | 最終更新日: | 2015-06-19 | 公開日: | 2015-06-24 | 識別子(ID): | 3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate |
|
![8TH 8TH](https://data.pdbj.org/pdbjplus/data/cc/svg/8TH.svg) | 8TH | 表記: | chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium | 組成式: | C30 H35 Cl Ir N3 O4 S2 | SMILES: | O=S(=O)(c1ccccc1)N2Cc8n([Ir]23456(Cl)C7(C)C3(C)C4(C)C5(CCC)C67C)ccc(c8)c9ccc(S(N)(=O)=O)cc9 | InChi: | InChI=1S/C18H16N3O4S2.C12H19.ClH.Ir/c19-26(22,23)17-8-6-14(7-9-17)15-10-11-20-16(12-15)13-21-27(24,25)18-4-2-1-3-5-18 | 定義日: | 2015-06-11 | 最終更新日: | 2015-06-19 | 公開日: | 2015-06-24 | 識別子(ID): | chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium |
|
![S2I S2I](https://data.pdbj.org/pdbjplus/data/cc/svg/S2I.svg) | S2I | 表記: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol | 組成式: | C22 H25 N5 O | SMILES: | OCCCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc4CC3 | InChi: | InChI=1S/C22H25N5O/c28-15-5-12-24-20-16-21(26-22(25-20)19-8-3-4-11-23-19)27-13-9-17-6-1-2-7-18(17)10-14-27/h1-4,6-8,11,16,28H,5,9-10,12-15H2,(H,24,25,26) | 定義日: | 2015-05-01 | 最終更新日: | 2015-06-12 | 公開日: | 2015-06-17 | 識別子(ID): | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol |
|