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概要配置情報関連するPDBエントリー

G6A

概要
表記:N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
組成式:C21 H21 N3 O2
電荷:0
化学式量:347.41 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.04N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
OpenEye OEToolkits1.5.0N-cyclopropyl-4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

化合物記述子（線形表記）

種別プログラムバージョン表記
SMILESACDLabs10.04O=C(NC1CC1)c2cc(c(cc2)C)c4c(cc(c3nnc(o3)C)cc4)C
SMILES_CANONICALCACTVS3.341Cc1oc(nn1)c2ccc(c(C)c2)c3cc(ccc3C)C(=O)NC4CC4
SMILESCACTVS3.341Cc1oc(nn1)c2ccc(c(C)c2)c3cc(ccc3C)C(=O)NC4CC4
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc(cc1c2ccc(cc2C)c3nnc(o3)C)C(=O)NC4CC4
SMILESOpenEye OEToolkits1.5.0Cc1ccc(cc1c2ccc(cc2C)c3nnc(o3)C)C(=O)NC4CC4
InChIInChI1.03InChI=1S/C21H21N3O2/c1-12-4-5-15(20(25)22-17-7-8-17)11-19(12)18-9-6-16(10-13(18)2)21-24-23-14(3)26-21/h4-6,9-11,17H,7-8H2,1-3H3,(H,22,25)
InChIKeyInChI1.03UBVTVSINEVHYSY-UHFFFAOYSA-N

223166

件を2024-07-31に公開中

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