General Information of the Compound
| Compound ID |
CP0090690
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| Compound Name |
(E)-2-(5-Fluoro-1-((4-(methylthio)biphenyl-4-yl)methylene)-1Hinden-3-yl)ethanoic acid
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| Structure |
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| Formula |
C25H19FO2S
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| Molecular Weight |
402.49
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| Canonical SMILES |
CSc1ccc(cc1)-c1ccc(\C=C2/C=C(CC(O)=O)c3cc(F)ccc23)cc1
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| InChI |
InChI=1S/C25H19FO2S/c1-29-22-9-6-18(7-10-22)17-4-2-16(3-5-17)12-19-13-20(14-25(27)28)24-15-21(26)8-11-23(19)24/h2-13,15H,14H2,1H3,(H,27,28)/b19-12+
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| InChIKey |
BKQDXUGDZBIWKJ-XDHOZWIPSA-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