Name: RPR121056
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212670261
Cas No:181467-56-1
常用名:RPR121056
别名:APC
IUPAC:5-{[1-({[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl]oxy}carbonyl)piperidin-4-yl]amino}pentanoic acid
IUPAC:5-{[1-({[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl]oxy}carbonyl)piperidin-4-yl]amino}pentanoic acid
InChI key:BSVVZICJFYZDJJ-XIFFEERXSA-N

分子式:C33H38N4O8
分子量:618.687
氢键供体数 (HBD):3
氢键受体数 (HBA):8
LogP:-0.4812958
SMILES:CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)NCCCCC(O)=O)cc12
SMILES:CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)NCCCCC(O)=O)cc12

RPR121056 is a Irinotecan metabolite, which is generated by CYP3A4. Irinotecan is an antineoplastic agent that inhibits topoisomerase type I.

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