General Information of the Compound
| Compound ID |
CP0534298
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| Compound Name |
(2E)-2-[[2-[(3-fluorophenyl)methoxy]-5-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]methylidene]pentanoic acid
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| Structure |
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| Formula |
C31H27F4NO5
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| Molecular Weight |
569.551
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| Canonical SMILES |
CCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1cccc(F)c1)C(O)=O
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| InChI |
InChI=1S/C31H27F4NO5/c1-3-5-21(30(37)38)14-22-15-24(9-11-27(22)41-18-19-6-4-7-23(32)12-19)40-17-20-8-10-26-25(13-20)28(39-2)16-29(36-26)31(33,34)35/h4,6-16H,3,5,17-18H2,1-2H3,(H,37,38)/b21-14+
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| InChIKey |
FJWIGQNSARCFBX-KGENOOAVSA-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