General Information of the Compound
| Compound ID |
CP0408325
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| Compound Name |
2-(4-fluorophenyl)-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 |
C21H21FN2O4S
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| Molecular Weight |
416.474
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| Canonical SMILES |
CNC(=O)c1c(oc2cc3N(CCCCc3cc12)S(C)(=O)=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H21FN2O4S/c1-23-21(25)19-16-11-14-5-3-4-10-24(29(2,26)27)17(14)12-18(16)28-20(19)13-6-8-15(22)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,23,25)
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| InChIKey |
RFAHQIDQLYBZIO-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