General Information of the Compound
| Compound ID |
CP0389106
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| Compound Name |
3-[4-[2-[2-(2-methylphenyl)pyridin-4-yl]ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C23H19NO2
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| Molecular Weight |
341.41
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| Canonical SMILES |
Cc1ccccc1-c1cc(ccn1)C#Cc1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C23H19NO2/c1-17-4-2-3-5-21(17)22-16-20(14-15-24-22)11-10-18-6-8-19(9-7-18)12-13-23(25)26/h2-9,14-16H,12-13H2,1H3,(H,25,26)
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| InChIKey |
ISQCGRVJAQFEHB-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