General Information of the Compound
| Compound ID |
CP0408708
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| Compound Name |
2-(4-fluorophenyl)-5-hydroxy-N-methyl-9-methylsulfonyl-5,6,7,8-tetrahydrofuro[3,2-h][1]benzazepine-3-carboxamide
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| Structure |
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| Formula |
C21H21FN2O5S
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| Molecular Weight |
432.473
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| Canonical SMILES |
CNC(=O)c1c(oc2cc3N(CCCC(O)c3cc12)S(C)(=O)=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H21FN2O5S/c1-23-21(26)19-15-10-14-16(24(30(2,27)28)9-3-4-17(14)25)11-18(15)29-20(19)12-5-7-13(22)8-6-12/h5-8,10-11,17,25H,3-4,9H2,1-2H3,(H,23,26)
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| InChIKey |
CGWLLLRUYMVMJO-UHFFFAOYSA-N
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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