General Information of the Compound
| Compound ID |
CP0036264
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| Compound Name |
(Z)-3-{7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phenyl]-benzofuran-2-yl}-2-fluoro-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)c(c1)-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O
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| InChI |
InChI=1S/C26H27F3O4/c1-13(2)17-9-19(14(3)4)25(32-12-22(27)28)20(10-17)18-8-6-7-16-11-21(33-24(16)18)15(5)23(29)26(30)31/h6-11,13-14,22H,12H2,1-5H3,(H,30,31)/b23-15-
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| InChIKey |
XBEQADTVYAUNQN-HAHDFKILSA-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