Name: INCB-9471 dihydrochloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212712875
Cas No:869725-27-9
常用名:INCB-9471 dihydrochloride
别名:INCB-9471 HCl, INCB9471 HCl, INCB-009471, INCB009471, INCB 9471 HCl, INCB 009471
别名:INCB-9471 HCl, INCB9471 HCl, INCB-009471, INCB009471, INCB 9471 HCl, INCB 009471
IUPAC:5-{4-[(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carbonyl}-4,6-dimethylpyrimidine dihydrochloride
IUPAC:5-{4-[(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carbonyl}-4,6-dimethylpyrimidine dihydrochloride
InChI key:IXVIZEPNBCSFFE-XLXXGMJUSA-N

分子式:C30H42Cl2F3N5O2
分子量:632.59
氢键供体数 (HBD):0
氢键受体数 (HBA):6
LogP:3.2531223
SMILES:Cl.Cl.CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F
SMILES:Cl.Cl.CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F

INCB-9471 HCl, an allosteric noncompetitive small-molecule antagonist of C-C chemokine receptor 5, has potent inhibitory activity against monocyte migration and HIV-1 infection.

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