Name: VUF11211
Rating: 5 (10 reviews)

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HIT ID:HIT212689356
Cas No:906556-51-2
常用名:VUF11211
别名:VUF-11211, VUF 11211
IUPAC:5-chloro-6-[(3S)-4-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide
IUPAC:5-chloro-6-[(3S)-4-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide
InChI key:XQWKNLJIWOTOKT-QFIPXVFZSA-N

分子式:C26H35Cl2N5O
分子量:504.5
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:4.6347847
SMILES:CCNC(=O)c1cnc(N2CCN([C@@H](CC)C2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1
SMILES:CCNC(=O)c1cnc(N2CCN([C@@H](CC)C2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1

VUF11211 is an effective antagonist of CXCR3 that acts by extending from the minor pocket into the major pocket of the transmembrane domains.

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