General Information of the Compound
| Compound ID |
CP0054139
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| Compound Name |
1-methyl-6-(4-(2-(1-(methylsulfonyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
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| Structure |
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| Formula |
C23H24F3N5O3S
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| Molecular Weight |
507.538
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| Canonical SMILES |
Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(CC2)S(C)(=O)=O)c(c1)C(F)(F)F)C#N
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| InChI |
InChI=1S/C23H24F3N5O3S/c1-30-14-28-22-19(13-27)29-18(12-20(22)30)16-3-4-21(17(11-16)23(24,25)26)34-10-7-15-5-8-31(9-6-15)35(2,32)33/h3-4,11-12,14-15H,5-10H2,1-2H3
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| InChIKey |
LQFGGDAIICQKPL-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