Name: XR9051 Hydrochloride
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214318797
Cas No:180422-22-4
常用名:XR9051 Hydrochloride
IUPAC:N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]phenyl}-3-{[(2Z,5Z)-4-methyl-3,6-dioxo-5-(phenylmethylidene)piperazin-2-ylidene]methyl}benzamide hydrochloride
IUPAC:N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]phenyl}-3-{[(2Z,5Z)-4-methyl-3,6-dioxo-5-(phenylmethylidene)piperazin-2-ylidene]methyl}benzamide hydrochloride
InChI key:NJXUYZIBWDEBQS-VFRXXILGSA-N

分子式:C39H39ClN4O5
分子量:679.21
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.COc1cc2CCN(CCc3ccc(NC(=O)c4cccc(\C=c5/[nH]c(=O)\c(=C\c6ccccc6)n(C)c5=O)c4)cc3)Cc2cc1OC
SMILES:Cl.COc1cc2CCN(CCc3ccc(NC(=O)c4cccc(\C=c5/[nH]c(=O)\c(=C\c6ccccc6)n(C)c5=O)c4)cc3)Cc2cc1OC

XR9051 Hydrochloride, a potent modulator of P-glycoprotein-mediated multidrug resistance (MDR), inhibits the binding of cytotoxics to P-glycoprotein.

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