General Information of the Compound
| Compound ID |
CP0422209
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| Compound Name |
US9243002, 88
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| Structure |
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| Formula |
C32H24F2N4O4S
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| Molecular Weight |
598.631
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| Canonical SMILES |
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2Cn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C32H24F2N4O4S/c1-35-32(39)29-22-13-21(24-12-9-18-16-38-25-6-4-5-23(34)20(25)14-27(38)30(18)36-24)26(37(2)43(3,40)41)15-28(22)42-31(29)17-7-10-19(33)11-8-17/h4-15H,16H2,1-3H3,(H,35,39)
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| InChIKey |
RVZDCFXTAGDKKA-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: PT00013, RNA-directed RNA polymerase
Cell-based Assay