General Information of the Compound
| Compound ID |
CP0396138
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| Compound Name |
5-(4-fluorophenyl)-N-methyl-15-methylsulfonyl-4-oxa-15-azatetracyclo[7.6.0.03,7.010,12]pentadeca-1(9),2,5,7-tetraene-6-carboxamide
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| Structure |
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| Formula |
C22H21FN2O4S
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| Molecular Weight |
428.485
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| Canonical SMILES |
CNC(=O)c1c(oc2cc3N(CCC4CC4c3cc12)S(C)(=O)=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H21FN2O4S/c1-24-22(26)20-17-10-16-15-9-13(15)7-8-25(30(2,27)28)18(16)11-19(17)29-21(20)12-3-5-14(23)6-4-12/h3-6,10-11,13,15H,7-9H2,1-2H3,(H,24,26)
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| InChIKey |
HQHFICNBZSKHED-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