General Information of the Compound
| Compound ID |
CP0510982
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| Compound Name |
1-[3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-yloxymethyl]-cyclopentanol
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| Structure |
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| Formula |
C19H20F3NO4S
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| Molecular Weight |
415.433
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1OCC1(O)CCCC1)C(F)(F)F
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| InChI |
InChI=1S/C19H20F3NO4S/c1-28(25,26)15-6-4-13(5-7-15)16-10-14(19(20,21)22)11-23-17(16)27-12-18(24)8-2-3-9-18/h4-7,10-11,24H,2-3,8-9,12H2,1H3
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| InChIKey |
BQJIFVOOSUPULW-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