General Information of the Compound
| Compound ID |
CP0502697
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| Compound Name |
1-[3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-ylsulfanyl]-2-methyl-propan-2-ol
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| Structure |
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| Formula |
C17H18F3NO3S2
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| Molecular Weight |
405.463
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| Canonical SMILES |
CC(C)(O)CSc1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C17H18F3NO3S2/c1-16(2,22)10-25-15-14(8-12(9-21-15)17(18,19)20)11-4-6-13(7-5-11)26(3,23)24/h4-9,22H,10H2,1-3H3
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| InChIKey |
DHNTZEYGEFMOTJ-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