NPD-001
HIT214317524
sdf文件结构编辑类似物检索
HIT ID: HIT214317524
Cas No: 469863-16-9
分子式: C33H40N6O4
分子量: 584.721
常用名: NPD-001
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4aS,8aR)-2-cycloheptyl-4-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
IUPAC: (4aS,8aR)-2-cycloheptyl-4-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
SMILES: [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c1
SMILES: [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-c2nnn[nH]2)c1
InChI key: DNDNLFXKQSTINI-WUFINQPMSA-N
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