General Information of the Compound
| Compound ID |
CP0120615
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| Compound Name |
(2E)-2-[[2,5-bis[2-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C31H30F6O4
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| Molecular Weight |
580.565
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| Canonical SMILES |
CCCC\C(=C/c1cc(OCCc2ccc(cc2)C(F)(F)F)ccc1OCCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C31H30F6O4/c1-2-3-4-23(29(38)39)19-24-20-27(40-17-15-21-5-9-25(10-6-21)30(32,33)34)13-14-28(24)41-18-16-22-7-11-26(12-8-22)31(35,36)37/h5-14,19-20H,2-4,15-18H2,1H3,(H,38,39)/b23-19+
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| InChIKey |
LKYYLGBNRZLTJP-FCDQGJHFSA-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