HIT ID: HIT218847419
Cas No: 2928614-22-4
分子式: C45H54F2N6O7
分子量: 828.959
常用名: Anticancer agent 120
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 7-(4-{11-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-yl]undecanoyl}piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC: 7-(4-{11-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-yl]undecanoyl}piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SMILES: OC(=O)c1cn(C2CC2)c2cc(N3CCN(CCCCCCCCCCC(=O)N4CCN(CC4)c4cc5n(cc(C(O)=O)c(=O)c5cc4F)C4CC4)CC3)c(F)cc2c1=O
SMILES: OC(=O)c1cn(C2CC2)c2cc(N3CCN(CCCCCCCCCCC(=O)N4CCN(CC4)c4cc5n(cc(C(O)=O)c(=O)c5cc4F)C4CC4)CC3)c(F)cc2c1=O
InChI key: CEWOIBGTDPNTDJ-UHFFFAOYSA-N
