A12B4C3
HIT212710384
sdf文件结构编辑类似物检索
HIT ID: HIT212710384
Cas No: 1005129-80-5
分子式: C30H38N4O5
分子量: 534.657
常用名: A12B4C3
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 6.335544
IUPAC: 2-(1-hydroxyundecyl)-1-[(4-nitrophenyl)amino]-6-phenyl-1H,2H,4aH,5H,6H,7H,7aH-pyrrolo[3,4-b]pyridine-5,7-dione
IUPAC: 2-(1-hydroxyundecyl)-1-[(4-nitrophenyl)amino]-6-phenyl-1H,2H,4aH,5H,6H,7H,7aH-pyrrolo[3,4-b]pyridine-5,7-dione
SMILES: CCCCCCCCCCC(O)C1C=CC2C(N1Nc1ccc(cc1)[N+]([O-])=O)C(=O)N(C2=O)c1ccccc1 |c:13|
SMILES: CCCCCCCCCCC(O)C1C=CC2C(N1Nc1ccc(cc1)[N+]([O-])=O)C(=O)N(C2=O)c1ccccc1 |c:13|
InChI key: KVHGJAKTBPFFNV-UHFFFAOYSA-N
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