General Information of the Compound
| Compound ID |
CP0456253
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| Compound Name |
[4-tert-butyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]phenyl]methanol
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| Structure |
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| Formula |
C21H25F3O
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| Molecular Weight |
350.424
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| Canonical SMILES |
CC(C)c1cc(cc(-c2cccc(c2)C(F)(F)F)c1CO)C(C)(C)C
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| InChI |
InChI=1S/C21H25F3O/c1-13(2)17-10-16(20(3,4)5)11-18(19(17)12-25)14-7-6-8-15(9-14)21(22,23)24/h6-11,13,25H,12H2,1-5H3
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| InChIKey |
GTBYBLWEOQHEDF-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