HIT ID: HIT212670438
Cas No: 2095160-79-3
分子式: C28H31ClN4O3
分子量: 507.03
常用名: SMYD3-IN-1
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 4.5703254
IUPAC: propyl (2R)-4-{2-[4-(1-aminocyclopropyl)phenyl]-4-chloroquinoline-7-carbonyl}-2-methylpiperazine-1-carboxylate
IUPAC: propyl (2R)-4-{2-[4-(1-aminocyclopropyl)phenyl]-4-chloroquinoline-7-carbonyl}-2-methylpiperazine-1-carboxylate
SMILES: CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C1(N)CC1
SMILES: CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C1(N)CC1
InChI key: ROAYRCZOBGZZPK-GOSISDBHSA-N
