General Information of the Compound
| Compound ID |
CP0573255
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| Compound Name |
2-[3-(trifluoromethyl)phenyl]ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
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| Structure |
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| Formula |
C20H19F3O5
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| Molecular Weight |
396.361
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| Canonical SMILES |
COc1cc(\C=C\C(=O)OCCc2cccc(c2)C(F)(F)F)cc(OC)c1O
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| InChI |
InChI=1S/C20H19F3O5/c1-26-16-11-14(12-17(27-2)19(16)25)6-7-18(24)28-9-8-13-4-3-5-15(10-13)20(21,22)23/h3-7,10-12,25H,8-9H2,1-2H3/b7-6+
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| InChIKey |
KRGPQCATRZYGPZ-VOTSOKGWSA-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