General Information of the Compound
| Compound ID |
CP0545948
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| Compound Name |
2-(2,4-difluorophenyl)-N,5-dimethyl-9-methylsulfonyl-5,6,7,8-tetrahydrofuro[3,2-h][1]benzazepine-3-carboxamide
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| Structure |
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| Formula |
C22H22F2N2O4S
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| Molecular Weight |
448.491
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| Canonical SMILES |
CNC(=O)c1c(oc2cc3N(CCCC(C)c3cc12)S(C)(=O)=O)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C22H22F2N2O4S/c1-12-5-4-8-26(31(3,28)29)18-11-19-16(10-15(12)18)20(22(27)25-2)21(30-19)14-7-6-13(23)9-17(14)24/h6-7,9-12H,4-5,8H2,1-3H3,(H,25,27)
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| InChIKey |
BQZBMSPPQGJXIJ-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