CP-472555
HIT212715450
sdf文件结构编辑类似物检索
HIT ID: HIT212715450
Cas No: 305821-96-9
分子式: C31H32N2O2
分子量: 464.609
常用名: CP-472555
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 5.4860497
IUPAC: (4bS,7R,8aR)-4b-benzyl-7-hydroxy-7-(prop-1-yn-1-yl)-N-[(pyridin-3-yl)methyl]-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-2-carboxamide
IUPAC: (4bS,7R,8aR)-4b-benzyl-7-hydroxy-7-(prop-1-yn-1-yl)-N-[(pyridin-3-yl)methyl]-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-2-carboxamide
SMILES: CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(ccc23)C(=O)NCc2cccnc2)C1
SMILES: CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(ccc23)C(=O)NCc2cccnc2)C1
InChI key: SEOPOTXFVGEDGX-UPHHSBJESA-N
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