para-Nitroblebbistatin
HIT212666408
sdf文件结构编辑类似物检索
HIT ID: HIT212666408
Cas No: 1621326-32-6
分子式: C18H15N3O4
分子量: 337.335
常用名: para-Nitroblebbistatin
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 2.819509
IUPAC: (3aS)-3a-hydroxy-6-methyl-1-(4-nitrophenyl)-1H,2H,3H,3aH,4H-pyrrolo[2,3-b]quinolin-4-one
IUPAC: (3aS)-3a-hydroxy-6-methyl-1-(4-nitrophenyl)-1H,2H,3H,3aH,4H-pyrrolo[2,3-b]quinolin-4-one
SMILES: Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccc(cc1)[N+]([O-])=O
SMILES: Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccc(cc1)[N+]([O-])=O
InChI key: KAUXNLHXGQGFOS-GOSISDBHSA-N
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