General Information of the Compound
| Compound ID |
CP0464218
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| Compound Name |
(1S,2R)-2-[3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-yloxy]-1-methyl-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 |
C[C@]1(O)CCC[C@H]1Oc1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C19H20F3NO4S/c1-18(24)9-3-4-16(18)27-17-15(10-13(11-23-17)19(20,21)22)12-5-7-14(8-6-12)28(2,25)26/h5-8,10-11,16,24H,3-4,9H2,1-2H3/t16-,18+/m1/s1
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| InChIKey |
DSBGPMMJJYTHSP-AEFFLSMTSA-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