Ro4491533
HIT212713509
sdf文件结构编辑类似物检索
HIT ID: HIT212713509
Cas No: 579482-31-8
分子式: C24H20F3N3O
分子量: 423.439
常用名: Ro4491533
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 5.1294994
IUPAC: 4-[3-(2,6-dimethylpyridin-4-yl)phenyl]-7-methyl-8-(trifluoromethyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one
IUPAC: 4-[3-(2,6-dimethylpyridin-4-yl)phenyl]-7-methyl-8-(trifluoromethyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one
SMILES: Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
SMILES: Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
InChI key: LYTVXCQQTLUEQR-UHFFFAOYSA-N
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