HIT ID: HIT212708993
Cas No: 443144-27-2
分子式: C22H22ClFN4O
分子量: 412.89
常用名: EMD 281014 hydrochloride
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 3.2290523
IUPAC: 7-{4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl}-1H-indole-3-carbonitrile hydrochloride
IUPAC: 7-{4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl}-1H-indole-3-carbonitrile hydrochloride
SMILES: Cl.Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)cc1
SMILES: Cl.Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)cc1
InChI key: UYGNZRVLPYZLTF-UHFFFAOYSA-N