Compound N023-0005
HIT211512883
sdf文件结构编辑类似物检索
HIT ID: HIT211512883
Cas No: -
分子式: C29H38N2O5
分子量: 494.632
常用名: Compound N023-0005
氢键受体数 (HBA): 7
氢键供体数 (HBD): 4
LogP: 2.775
IUPAC: 4-[(3bR,7R,9bS)-3a,5a,7-trihydroxy-11a-methyl-9a-[(E)-(2-phenylhydrazin-1-ylidene)methyl]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
IUPAC: 4-[(3bR,7R,9bS)-3a,5a,7-trihydroxy-11a-methyl-9a-[(E)-(2-phenylhydrazin-1-ylidene)methyl]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
SMILES: [H][C@@]12CCC3(O)C[C@H](O)CCC3(\C=N\Nc3ccccc3)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1 |t:37|
SMILES: [H][C@@]12CCC3(O)C[C@H](O)CCC3(\C=N\Nc3ccccc3)[C@@]1([H])CCC1(C)C(CCC21O)C1=CC(=O)OC1 |t:37|
InChI key: XQYWJIDANYBAFF-FHRDMYSCSA-N
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