General Information of the Compound
| Compound ID |
CP0156805
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| Compound Name |
N-[3-[[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]methyl]pyridin-2-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C20H18BrFN6O2S
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| Molecular Weight |
505.373
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| Canonical SMILES |
CN(c1ncccc1CNc1c(Br)cnc2nc([nH]c12)-c1ccc(F)cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H18BrFN6O2S/c1-28(31(2,29)30)20-13(4-3-9-23-20)10-24-16-15(21)11-25-19-17(16)26-18(27-19)12-5-7-14(22)8-6-12/h3-9,11H,10H2,1-2H3,(H2,24,25,26,27)
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| InChIKey |
PBCVYFSFCFGZOT-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