General Information of the Compound
| Compound ID |
CP0448458
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| Compound Name |
2,6-Di-tert-butyl-4-[2-(3-trifluoromethyl-isoxazol-5-yl)-vinyl]-phenol
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| Structure |
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| Formula |
C20H24F3NO2
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| Molecular Weight |
367.411
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| Canonical SMILES |
CC(C)(C)c1cc(\C=C\c2cc(no2)C(F)(F)F)cc(c1O)C(C)(C)C
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| InChI |
InChI=1S/C20H24F3NO2/c1-18(2,3)14-9-12(10-15(17(14)25)19(4,5)6)7-8-13-11-16(24-26-13)20(21,22)23/h7-11,25H,1-6H3/b8-7+
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| InChIKey |
DCHZZAGSYLWIDD-BQYQJAHWSA-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