General Information of the Compound
| Compound ID |
CP0416001
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| Compound Name |
5-(15-fluoro-6-oxo-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
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| Structure |
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| Formula |
C33H26F2N4O5S
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| Molecular Weight |
628.657
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| Canonical SMILES |
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1cc2-c3cc4c(F)cccc4n3CCn2c(=O)c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C33H26F2N4O5S/c1-36-33(41)31-23-15-21(26(37(2)45(3,42)43)17-29(23)44-32(31)18-7-9-20(34)10-8-18)19-13-27-28-16-22-24(35)5-4-6-25(22)38(28)11-12-39(27)30(40)14-19/h4-10,13-17H,11-12H2,1-3H3,(H,36,41)
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| InChIKey |
ZJTCYEWZUHYROJ-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