General Information of the Compound
| Compound ID |
CP0389215
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| Compound Name |
HCV 796
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| Synonyms |
79Z
HCV-796
Nesbuvir
Nesbuvir (USAN)
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| Structure |
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| Formula |
C22H23FN2O5S
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| Molecular Weight |
446.5
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| Canonical SMILES |
CNC(=O)c1c(oc2cc(N(CCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H23FN2O5S/c1-24-22(27)20-17-11-16(13-3-4-13)18(25(9-10-26)31(2,28)29)12-19(17)30-21(20)14-5-7-15(23)8-6-14/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,27)
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| InChIKey |
WTDWVLJJJOTABN-UHFFFAOYSA-N
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| CAS |
691852-58-1
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00149, Nonstructural protein 5A
Protein ID: PT00013, RNA-directed RNA polymerase
Clinical Information about the Compound