Name: HCV-IN-7 hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212671386
Cas No:1449756-87-9
常用名:HCV-IN-7 hydrochloride
IUPAC:methyl N-[(2S)-1-[(2S)-2-[5-(7-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}naphtho[1,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate dihydrochloride
IUPAC:methyl N-[(2S)-1-[(2S)-2-[5-(7-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}naphtho[1,2-b]thiophen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate dihydrochloride
InChI key:HVGIKJUXPYMGSR-RADXRPBUSA-N

分子式:C40H50Cl2N8O6S
分子量:841.85
氢键供体数 (HBD):4
氢键受体数 (HBA):6
LogP:4.391924
SMILES:Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2ccc3cc(ccc3c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
SMILES:Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2ccc3cc(ccc3c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C

HCV-IN-7 hydrochloride is an orally active and potent pan-genotypic HCV NS5A inhibitor (IC50s: 3-47 pM). It shows a superior pan-genotypic profile and a good pharmacokinetic profile coupled with a favorable liver uptake.

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