General Information of the Compound
| Compound ID |
CP0177434
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| Compound Name |
(2E)-2-[[5-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methoxy]-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C32H30F3NO4S
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| Molecular Weight |
581.656
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| Canonical SMILES |
CCCC\C(=C/c1cc(OCc2ccc(cc2)-c2csc(C)n2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C32H30F3NO4S/c1-3-4-5-25(31(37)38)16-26-17-28(39-18-22-6-10-24(11-7-22)29-20-41-21(2)36-29)14-15-30(26)40-19-23-8-12-27(13-9-23)32(33,34)35/h6-17,20H,3-5,18-19H2,1-2H3,(H,37,38)/b25-16+
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| InChIKey |
GOLACKJVVQZLIL-PCLIKHOPSA-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