General Information of the Compound
| Compound ID |
CP0469448
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| Compound Name |
(2E)-2-[[2-[[4-(difluoromethoxy)phenyl]methoxy]-5-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C33H30F5NO6
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| Molecular Weight |
631.594
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| Canonical SMILES |
CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(OC(F)F)cc1)C(O)=O
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| InChI |
InChI=1S/C33H30F5NO6/c1-3-4-5-22(31(40)41)15-23-16-25(11-13-28(23)44-18-20-6-9-24(10-7-20)45-32(34)35)43-19-21-8-12-27-26(14-21)29(42-2)17-30(39-27)33(36,37)38/h6-17,32H,3-5,18-19H2,1-2H3,(H,40,41)/b22-15+
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| InChIKey |
LQBVDJHPCQYCQH-PXLXIMEGSA-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