General Information of the Compound
| Compound ID |
CP0430496
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| Compound Name |
[1-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]methanol
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| Structure |
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| Formula |
C19H21F3N2O3S
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| Molecular Weight |
414.449
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N1CCCC(CO)C1)C(F)(F)F
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| InChI |
InChI=1S/C19H21F3N2O3S/c1-28(26,27)16-6-4-14(5-7-16)17-9-15(19(20,21)22)10-23-18(17)24-8-2-3-13(11-24)12-25/h4-7,9-10,13,25H,2-3,8,11-12H2,1H3
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| InChIKey |
KVUASUDFPOEMLR-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