BRD5631
HIT212671115
sdf文件结构编辑类似物检索
HIT ID: HIT212671115
Cas No: 2446154-91-0
分子式: C30H35N3O4
分子量: 501.627
常用名: BRD5631
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 4.2853985
IUPAC: N-[(3S,6S,7S)-7-methoxy-3,6,9-trimethyl-10-oxo-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododecin-12-yl]-[1,1'-biphenyl]-4-carboxamide
IUPAC: N-[(3S,6S,7S)-7-methoxy-3,6,9-trimethyl-10-oxo-3,4,5,6,7,8,9,10-octahydro-2H-1,4,9-benzoxadiazacyclododecin-12-yl]-[1,1'-biphenyl]-4-carboxamide
SMILES: CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(cc3)-c3ccccc3)ccc2OC[C@H](C)NC[C@@H]1C
SMILES: CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(cc3)-c3ccccc3)ccc2OC[C@H](C)NC[C@@H]1C
InChI key: XGMSCYLPQZMHLL-YHGPEZAFSA-N
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