Pefcalcitol
HIT214433188
sdf文件结构编辑类似物检索
HIT ID: HIT214433188
Cas No: 381212-03-9
分子式: C26H34F5NO4
分子量: 519.553
常用名: Pefcalcitol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[(1S)-1-[(3aS,7E,7aS)-7-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-3a-methyl-3a,4,5,6,7,7a-hexahydro-1H-inden-3-yl]ethoxy]-N-(2,2,3,3,3-pentafluoropropyl)acetamide
IUPAC: 2-[(1S)-1-[(3aS,7E,7aS)-7-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-3a-methyl-3a,4,5,6,7,7a-hexahydro-1H-inden-3-yl]ethoxy]-N-(2,2,3,3,3-pentafluoropropyl)acetamide
SMILES: [H][C@@]12CC=C([C@H](C)OCC(=O)NCC(F)(F)C(F)(F)F)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C
SMILES: [H][C@@]12CC=C([C@H](C)OCC(=O)NCC(F)(F)C(F)(F)F)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C
InChI key: SVCSMAZYWOQCBW-NVJMFHFGSA-N
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