General Information of the Compound
| Compound ID |
CP0136717
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| Compound Name |
2-(4-fluorophenyl)-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
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| Structure |
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| Formula |
C32H25F2N5O4S
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| Molecular Weight |
613.646
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| Canonical SMILES |
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2NCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C32H25F2N5O4S/c1-35-32(40)29-21-13-20(26(38(2)44(3,41)42)15-28(21)43-31(29)17-7-9-18(33)10-8-17)23-11-12-24-30(37-23)27-14-19-22(34)5-4-6-25(19)39(27)16-36-24/h4-15,36H,16H2,1-3H3,(H,35,40)
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| InChIKey |
MGKCTMFWUSMCJX-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