General Information of the Compound
| Compound ID |
CP0448538
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| Compound Name |
2-(4-Chloro-benzyloxy)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-pyridine
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| Structure |
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| Formula |
C20H15ClF3NO3S
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| Molecular Weight |
441.858
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1OCc1ccc(Cl)cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H15ClF3NO3S/c1-29(26,27)17-8-4-14(5-9-17)18-10-15(20(22,23)24)11-25-19(18)28-12-13-2-6-16(21)7-3-13/h2-11H,12H2,1H3
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| InChIKey |
PSDLYZMVUZFJOQ-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