 | JSJ | 表記: | 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine | 組成式: | C19 H30 N6 O10 P2 S2 | SMILES: | C1(OC(C(C1O)O)COP(=O)(O)OP(O)(=O)SSCC2=CC(C)(N(C2(C)C)O)C)n3c4c(nc3)c(ncn4)N | InChi: | InChI=1S/C19H30N6O10P2S2/c1-18(2)5-10(19(3,4)25(18)28)7-38-39-37(31,32)35-36(29,30)33-6-11-13(26)14(27)17(34-11)24-9-23-12-15(20)21-8-22-16(12)24/h5,8-9,11,13-14,17,26-28H,6-7H2,1-4H3,(H,29,30)(H,31,32)(H2,20,21,22)/t11-,13-,14-,17-/m1/s1 | 定義日: | 2018-09-20 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 | 識別子(ID): | 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine |
|
 | J9P | 表記: | (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid | 組成式: | C21 H36 O5 | SMILES: | CCCCC(CC=CC1C(C(CC1O)=O)CCCCCCC(O)=O)(C)O | InChi: | InChI=1S/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21+/m1/s1 | 定義日: | 2018-08-27 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 | 識別子(ID): | (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid |
|
 | UX4 | 表記: | ethyl 4-[(8R)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoylpiperazine-1-carboxylate | 組成式: | C21 H29 N5 O4 S | SMILES: | O=C(OCC)N1CCN(CC1)C(=O)Nc2sc3c(c2C)C(N4C(=N3)CCC(C)CC4)=O | InChi: | InChI=1S/C21H29N5O4S/c1-4-30-21(29)25-11-9-24(10-12-25)20(28)23-17-14(3)16-18(31-17)22-15-6-5-13(2)7-8-26(15)19(16)27/h13H,4-12H2,1-3H3,(H,23,28)/t13-/m1/s1 | 定義日: | 2017-12-07 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 | 識別子(ID): | ethyl 4-{[(8R)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoyl}piperazine-1-carboxylate |
|
 | 91L | 表記: | 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid | 組成式: | C15 H9 N O5 | SMILES: | c1(cc(c3c(c1N)C(c2c(cccc2)C3=O)=O)O)C(O)=O | InChi: | InChI=1S/C15H9NO5/c16-12-8(15(20)21)5-9(17)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2,(H,20,21) | 定義日: | 2017-11-30 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 | 識別子(ID): | 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid |
|
 | 91O | 表記: | 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid | 組成式: | C18 H16 Cl N O5 | SMILES: | c1(cc(c(cc1C(O)=O)Cl)N[C@H]=CC(c2ccc(cc2)OC)=O)OC | InChi: | InChI=1S/C18H16ClNO5/c1-24-12-5-3-11(4-6-12)16(21)7-8-20-15-10-17(25-2)13(18(22)23)9-14(15)19/h3-10,20H,1-2H3,(H,22,23)/b8-7- | 定義日: | 2017-11-30 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 | 識別子(ID): | 5-chloro-2-methoxy-4-{[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid |
|
 | 91X | 表記: | 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione | 組成式: | C14 H8 N4 O3 S | SMILES: | c12cc(ccc1C(c3c(S2(=O)=O)cccc3)=O)c4nnnn4 | InChi: | InChI=1S/C14H8N4O3S/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18) | 定義日: | 2017-11-30 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 | 識別子(ID): | 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione |
|
 | 92C | 表記: | (3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one | 組成式: | C13 H10 Cl N3 O | SMILES: | c32C(=Cc1cnn(C)c1)C(Nc2ccc(c3)Cl)=O | InChi: | InChI=1S/C13H10ClN3O/c1-17-7-8(6-15-17)4-11-10-5-9(14)2-3-12(10)16-13(11)18/h2-7H,1H3,(H,16,18)/b11-4- | 定義日: | 2017-11-30 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 | 識別子(ID): | (3Z)-5-chloro-3-[(1-methyl-1H-pyrazol-4-yl)methylidene]-1,3-dihydro-2H-indol-2-one |
|
 | W45 | 表記: | N-[5-(5,6-dichloro-1H-indol-1-yl)pentyl]-2-sulfanylacetamide | 組成式: | C15 H18 Cl2 N2 O S | SMILES: | C(NCCCCCn2ccc1cc(c(cc12)Cl)Cl)(CS)=O | InChi: | InChI=1S/C15H18Cl2N2OS/c16-12-8-11-4-7-19(14(11)9-13(12)17)6-3-1-2-5-18-15(20)10-21/h4,7-9,21H,1-3,5-6,10H2,(H,18,20) | 定義日: | 2018-10-15 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 | 識別子(ID): | N-[5-(5,6-dichloro-1H-indol-1-yl)pentyl]-2-sulfanylacetamide |
|
 | BVR | 表記: | [4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron | 組成式: | C27 H36 B N2 O9 S | SMILES: | CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[B](O)=O | InChi: | InChI=1S/C27H36BN2O9S/c1-18(2)15-30(40(35,36)21-10-8-20(9-11-21)28(33)34)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)39-25-17-38-26-22(25)12-13-37-26/h3-11,18,22-26,31,33H,12-17H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 | 定義日: | 2018-01-26 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 | 識別子(ID): | [4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron |
|
 | 8VL | 表記: | 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid | 組成式: | C24 H21 Br N2 O3 | SMILES: | C[CH](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2ccc(Br)c3ccccc23 | InChi: | InChI=1S/C24H21BrN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)/t15-/m1/s1 | 定義日: | 2017-10-04 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 | 識別子(ID): | 4-[2-[[(2~{R})-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid |
|
 | EZW | 表記: | 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate | 組成式: | C27 H18 N2 O3 | SMILES: | CC(=O)OC1=C(Oc2cc3ccccc3cc2n4cccc14)c5cccc6ncccc56 | InChi: | InChI=1S/C27H18N2O3/c1-17(30)31-27-23-12-6-14-29(23)24-15-18-7-2-3-8-19(18)16-25(24)32-26(27)21-9-4-11-22-20(21)10-5-13-28-22/h2-16H,1H3 | 定義日: | 2018-05-16 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 |
|
 | F9Z | 表記: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one | 組成式: | C21 H20 Cl N O5 | SMILES: | CN1CC[CH]([CH](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl | InChi: | InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17-/m0/s1 | 定義日: | 2018-06-19 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 | 識別子(ID): | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one |
|
 | FB8 | 表記: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine | 組成式: | C18 H21 N5 O2 S | SMILES: | CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)[S](C)(=O)=O)n2 | InChi: | InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22) | 定義日: | 2018-06-19 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 | 識別子(ID): | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine |
|
 | FC8 | 表記: | ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine | 組成式: | C19 H24 Cl N7 | SMILES: | CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[CH]4CCCC[CH]4N)nc12 | InChi: | InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1 | 定義日: | 2018-06-19 | 最終更新日: | 2018-11-30 | 公開日: | 2018-12-05 | 識別子(ID): | ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine |
|
 | FGW | 表記: | dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium | 組成式: | C60 H76 N21 O10 | SMILES: | CC(C)n1ccnc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c(c3)C(=O)Nc4cn(C)c(c4)C(=O)NCCCC(=O)Nc5cn(C)c(n5)C(=O)Nc6cn(C)c(c6)C(=O)Nc7cn(C)c(c7)C(=O)Nc8cn(C)c(c8)C(=O)NCCC(=O)NCCC[NH+](C)C | InChi: | InChI=1S/C60H75N21O10/c1-35(2)81-21-19-62-51(81)59(90)69-40-26-46(78(9)32-40)57(88)67-38-24-44(76(7)30-38)55(86)65-36-22-42(74(5)28-36)53(84)63-16-12-14-50(83)71-48-34-80(11)52(72-48)60(91)70-41-27-47(79(10)33-41)58(89)68-39-25-45(77(8)31-39)56(87)66-37-23-43(75(6)29-37)54(85)64-18-15-49(82)61-17-13-20-73(3)4/h19,21-35H,12-18,20H2,1-11H3,(H,61,82)(H,63,84)(H,64,85)(H,65,86)(H,66,87)(H,67,88)(H,68,89)(H,69,90)(H,70,91)(H,71,83)/p+1 | 定義日: | 2018-07-03 | 最終更新日: | 2018-11-23 | 公開日: | 2018-11-28 | 識別子(ID): | dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium |
|
 | FJE | 表記: | [3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone | 組成式: | C14 H8 Cl F2 N3 O | SMILES: | Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(Cl)cc23 | InChi: | InChI=1S/C14H8ClF2N3O/c15-6-3-7-8(5-20-14(7)19-4-6)13(21)11-9(16)1-2-10(18)12(11)17/h1-5H,18H2,(H,19,20) | 定義日: | 2018-07-11 | 最終更新日: | 2018-11-23 | 公開日: | 2018-11-28 | 識別子(ID): | [3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone |
|
 | FJH | 表記: | ~{N}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide | 組成式: | C27 H23 N3 O4 | SMILES: | Cc1ccc2cc(ccc2n1)C(=O)Nc3cc(NC(=O)c4ccc5OCCOc5c4)ccc3C | InChi: | InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32) | 定義日: | 2018-07-11 | 最終更新日: | 2018-11-23 | 公開日: | 2018-11-28 | 識別子(ID): | ~{N}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide |
|
 | FNV | 表記: | 4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile | 組成式: | C29 H30 F3 N7 O2 S | SMILES: | c12sc(cc1c(ncn2)NC3CCN(CC3)Cc6ccc5c(cc(C#N)n5CC4CNC(CO4)=O)c6C)CC(F)(F)F | InChi: | InChI=1S/C29H30F3N7O2S/c1-17-18(2-3-25-23(17)8-20(11-33)39(25)14-21-12-34-26(40)15-41-21)13-38-6-4-19(5-7-38)37-27-24-9-22(10-29(30,31)32)42-28(24)36-16-35-27/h2-3,8-9,16,19,21H,4-7,10,12-15H2,1H3,(H,34,40)(H,35,36,37)/t21-/m1/s1 | 定義日: | 2018-04-10 | 最終更新日: | 2018-11-23 | 公開日: | 2018-11-28 | 識別子(ID): | 4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
|
 | FO9 | 表記: | famotidine | 組成式: | C8 H17 N7 O2 S3 | SMILES: | NC(N)=NC1=[SH]CC(=N1)CSCCC(N)=N[S](N)(=O)=O | InChi: | InChI=1S/C8H17N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h19H,1-4H2,(H2,9,15)(H4,10,11,14)(H2,12,16,17) | 定義日: | 2018-03-26 | 最終更新日: | 2018-11-23 | 公開日: | 2018-11-28 | 識別子(ID): | 3-[[2-[bis(azanyl)methylideneamino]-5~{H}-1,3-thiazol-4-yl]methylsulfanyl]-~{N}'-sulfamoyl-propanimidamide |
|
 | G54 | 表記: | [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide | 組成式: | C17 H15 N5 | SMILES: | n4c3ncnc(c1cc2c(cc1)CCC2(NC#N)C)c3cc4 | InChi: | InChI=1S/C17H15N5/c1-17(22-9-18)6-4-11-2-3-12(8-14(11)17)15-13-5-7-19-16(13)21-10-20-15/h2-3,5,7-8,10,22H,4,6H2,1H3,(H,19,20,21)/t17-/m0/s1 | 定義日: | 2018-05-04 | 最終更新日: | 2018-11-23 | 公開日: | 2018-11-28 | 識別子(ID): | [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide |
|
 | G9Q | 表記: | 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid | 組成式: | C23 H25 N O2 | SMILES: | CC(C)N1CCC(C)(C)c2cc(ccc12)C#Cc3ccc(cc3)C(O)=O | InChi: | InChI=1S/C23H25NO2/c1-16(2)24-14-13-23(3,4)20-15-18(9-12-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-12,15-16H,13-14H2,1-4H3,(H,25,26) | 定義日: | 2018-09-07 | 最終更新日: | 2018-11-23 | 公開日: | 2018-11-28 | 識別子(ID): | 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid |
|
 | GKN | 表記: | 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid | 組成式: | C20 H23 N O3 | SMILES: | CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(CCC(O)=O)cc2 | InChi: | InChI=1S/C20H23NO3/c1-20(2,3)16-9-7-15(8-10-16)19(24)21-17-11-4-14(5-12-17)6-13-18(22)23/h4-5,7-12H,6,13H2,1-3H3,(H,21,24)(H,22,23) | 定義日: | 2018-09-23 | 最終更新日: | 2018-11-23 | 公開日: | 2018-11-28 | 識別子(ID): | 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid |
|
 | GKQ | 表記: | ~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide | 組成式: | C21 H23 Cl N4 O | SMILES: | Clc1cccc(CNC(=O)c2ccc3n(CCN4CCCC4)cnc3c2)c1 | InChi: | InChI=1S/C21H23ClN4O/c22-18-5-3-4-16(12-18)14-23-21(27)17-6-7-20-19(13-17)24-15-26(20)11-10-25-8-1-2-9-25/h3-7,12-13,15H,1-2,8-11,14H2,(H,23,27) | 定義日: | 2018-09-23 | 最終更新日: | 2018-11-23 | 公開日: | 2018-11-28 | 識別子(ID): | ~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide |
|
 | GKT | 表記: | 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide | 組成式: | C21 H23 I N4 O | SMILES: | Cc1ccc(cc1I)C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2 | InChi: | InChI=1S/C21H23IN4O/c1-14-5-6-15(11-17(14)22)21(27)23-16-7-8-18-19(12-16)25-20(24-18)13-26-9-3-2-4-10-26/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,27)(H,24,25) | 定義日: | 2018-09-24 | 最終更新日: | 2018-11-23 | 公開日: | 2018-11-28 | 識別子(ID): | 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide |
|
 | R34 | 表記: | 5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide | 組成式: | C24 H19 Cl N4 O3 | SMILES: | c15c(ccc(c1)c2c(Cl)cc3c(c2)nc(n3)Oc4cc(c(cc4)C)C(=O)NO)n(C)cc5 | InChi: | InChI=1S/C24H19ClN4O3/c1-13-3-5-16(10-17(13)23(30)28-31)32-24-26-20-11-18(19(25)12-21(20)27-24)14-4-6-22-15(9-14)7-8-29(22)2/h3-12,31H,1-2H3,(H,26,27)(H,28,30) | 定義日: | 2018-01-29 | 最終更新日: | 2018-11-23 | 公開日: | 2018-11-28 | 識別子(ID): | 5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide |
|