General Information of the Compound
| Compound ID |
CP0170054
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| Compound Name |
(E)-3-{7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phenyl]-benzofuran-2-yl}-but-2-enoic acid
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| Structure |
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| Formula |
C26H27F3O4
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| Molecular Weight |
460.492
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| Canonical SMILES |
CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
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| InChI |
InChI=1S/C26H27F3O4/c1-14(2)18-10-20(15(3)4)25(32-13-26(27,28)29)21(11-18)19-8-6-7-17-12-22(33-24(17)19)16(5)9-23(30)31/h6-12,14-15H,13H2,1-5H3,(H,30,31)/b16-9+
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| InChIKey |
ONPFJJWQNMOTPL-CXUHLZMHSA-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