General Information of the Compound
| Compound ID |
CP0318497
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| Compound Name |
(2E)-2-[[5-hydroxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C21H21F3O4
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| Molecular Weight |
394.389
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| Canonical SMILES |
CCCC\C(=C/c1cc(O)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C21H21F3O4/c1-2-3-4-15(20(26)27)11-16-12-18(25)9-10-19(16)28-13-14-5-7-17(8-6-14)21(22,23)24/h5-12,25H,2-4,13H2,1H3,(H,26,27)/b15-11+
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| InChIKey |
AHPGUVLNKNEVKW-RVDMUPIBSA-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