General Information of the Compound
| Compound ID |
CP0559879
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| Compound Name |
(E)-1-[2-hydroxy-4,6-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
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| Structure |
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| Formula |
C23H23F3O4
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| Molecular Weight |
420.427
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| Canonical SMILES |
COc1cc(OC)c(C(=O)\C=C\c2cccc(c2)C(F)(F)F)c(O)c1CC=C(C)C
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| InChI |
InChI=1S/C23H23F3O4/c1-14(2)8-10-17-19(29-3)13-20(30-4)21(22(17)28)18(27)11-9-15-6-5-7-16(12-15)23(24,25)26/h5-9,11-13,28H,10H2,1-4H3/b11-9+
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| InChIKey |
XDYYLDQDOVYZIJ-PKNBQFBNSA-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