General Information of the Compound
| Compound ID |
CP0416000
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| Compound Name |
US9243002, 99
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| Structure |
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| Formula |
C35H30F2N4O4S
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| Molecular Weight |
640.712
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| Canonical SMILES |
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCCCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C35H30F2N4O4S/c1-38-35(42)32-25-17-24(29(40(2)46(3,43)44)19-31(25)45-34(32)21-10-13-22(36)14-11-21)27-15-12-20-7-4-5-16-41-28-9-6-8-26(37)23(28)18-30(41)33(20)39-27/h6,8-15,17-19H,4-5,7,16H2,1-3H3,(H,38,42)
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| InChIKey |
DXVZFJFWHBBCDS-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