General Information of the Compound
| Compound ID |
CP0494313
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| Compound Name |
3-[4-[2-(2-fluoro-5-methylpyridin-4-yl)ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C17H14FNO2
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| Molecular Weight |
283.302
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| Canonical SMILES |
Cc1cnc(F)cc1C#Cc1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C17H14FNO2/c1-12-11-19-16(18)10-15(12)8-6-13-2-4-14(5-3-13)7-9-17(20)21/h2-5,10-11H,7,9H2,1H3,(H,20,21)
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| InChIKey |
XNROIMFDVRJKEX-UHFFFAOYSA-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