General Information of the Compound
| Compound ID |
CP0493235
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| Compound Name |
1-[[5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[3,4-c]pyridine
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| Structure |
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| Formula |
C20H19ClF3N5O2S
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| Molecular Weight |
485.919
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| Canonical SMILES |
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCCCC(F)(F)F)c2cnccc12
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| InChI |
InChI=1S/C20H19ClF3N5O2S/c1-32(30,31)19-14-6-8-25-11-17(14)29(27-19)12-18-26-15-10-13(21)4-5-16(15)28(18)9-3-2-7-20(22,23)24/h4-6,8,10-11H,2-3,7,9,12H2,1H3
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| InChIKey |
WCMRGMBGNDBJFG-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