Name: Anticancer agent 120
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218847419
Cas No:2928614-22-4
常用名:Anticancer agent 120
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
InChI key:CEWOIBGTDPNTDJ-UHFFFAOYSA-N

分子式:C45H54F2N6O7
分子量:828.959
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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

Anticanceragent 120 (compound 21) 是N-酰化环丙沙星衍生物，具有抗菌活性，并通过诱导ROS产生促进癌细胞凋亡 (apoptosis)。

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