General Information of the Compound
| Compound ID |
CP0455670
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| Compound Name |
(S)-3-[3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-yloxy]-2-methyl-butan-2-ol
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| Structure |
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| Formula |
C18H20F3NO4S
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| Molecular Weight |
403.422
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| Canonical SMILES |
C[C@H](Oc1ncc(cc1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(C)(C)O
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| InChI |
InChI=1S/C18H20F3NO4S/c1-11(17(2,3)23)26-16-15(9-13(10-22-16)18(19,20)21)12-5-7-14(8-6-12)27(4,24)25/h5-11,23H,1-4H3/t11-/m0/s1
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| InChIKey |
ZFUXYBWWXNLJPZ-NSHDSACASA-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