Name: ZK159222
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212687327
Cas No:156965-15-0
常用名:ZK159222
IUPAC:butyl 1-[(1R,2E,4R)-4-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-1-hydroxypent-2-en-1-yl]cyclopropane-1-carboxylate
IUPAC:butyl 1-[(1R,2E,4R)-4-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-1-hydroxypent-2-en-1-yl]cyclopropane-1-carboxylate
InChI key:SPARTCPUGRJFRS-PBDCIXLPSA-N

分子式:C32H48O5
分子量:512.731
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:4.8828373
SMILES:[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@@H](O)C3(CC3)C(=O)OCCCC)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C
SMILES:[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@@H](O)C3(CC3)C(=O)OCCCC)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C

ZK159222 is an effective 1α,25-(OH)2D3 receptor (VDR) agonist. ZK159222 has a partial agonistic character.

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