General Information of the Compound
| Compound ID |
CP0561438
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| Compound Name |
methyl 2-(4-fluorophenyl)-3-(methylcarbamoyl)-5,6,7,8-tetrahydrofuro[3,2-h][1]benzazepine-9-carboxylate
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| Structure |
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| Formula |
C22H21FN2O4
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| Molecular Weight |
396.418
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| Canonical SMILES |
CNC(=O)c1c(oc2cc3N(CCCCc3cc12)C(=O)OC)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H21FN2O4/c1-24-21(26)19-16-11-14-5-3-4-10-25(22(27)28-2)17(14)12-18(16)29-20(19)13-6-8-15(23)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,24,26)
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| InChIKey |
CADFUGGDPYDVHA-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