Name: HEC72702
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212689156
Cas No:1793063-59-8
常用名:HEC72702
别名:HEC-72702, HEC 72702
IUPAC:3-[(2R)-4-{[(6R)-6-(2-bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(1,3-thiazol-2-yl)-3,6-dihydropyrimidin-4-yl]methyl}morpholin-2-yl]propanoic acid
IUPAC:3-[(2R)-4-{[(6R)-6-(2-bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(1,3-thiazol-2-yl)-3,6-dihydropyrimidin-4-yl]methyl}morpholin-2-yl]propanoic acid
InChI key:ILFIXUVIBJYIDE-VFNWGFHPSA-N

分子式:C24H26BrFN4O5S
分子量:581.46
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:1.4510314
SMILES:CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |c:5,21|
SMILES:CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |c:5,21|

HEC72702 is a novel Hepatitis B virus capsid inhibitor, based on clinical candidate GLS4. HEC72702 was found to display no induction of the CYP1A2, CYP3A4, or CYP2B6 enzyme at the high concentration of 10 μM.

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