General Information of the Compound
| Compound ID |
CP0069138
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| Compound Name |
US9243002, 82
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| Structure |
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| Formula |
C33H24F2N4O4S
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| Molecular Weight |
610.642
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| Canonical SMILES |
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn3c(cc4c(F)cccc34)c2n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C33H24F2N4O4S/c1-36-33(40)30-23-15-22(27(38(2)44(3,41)42)17-29(23)43-32(30)19-7-10-20(34)11-8-19)25-12-9-18-13-14-39-26-6-4-5-24(35)21(26)16-28(39)31(18)37-25/h4-17H,1-3H3,(H,36,40)
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| InChIKey |
GSURGAWEPTXPFX-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