General Information of the Compound
| Compound ID |
CP0402726
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| Compound Name |
3-[2-(2-methylpyridin-3-yl)-1H-indol-5-yl]propanoic acid
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| Structure |
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| Formula |
C17H16N2O2
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| Molecular Weight |
280.327
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| Canonical SMILES |
Cc1ncccc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
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| InChI |
InChI=1S/C17H16N2O2/c1-11-14(3-2-8-18-11)16-10-13-9-12(5-7-17(20)21)4-6-15(13)19-16/h2-4,6,8-10,19H,5,7H2,1H3,(H,20,21)
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| InChIKey |
IHKPYHLINVJCBZ-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
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma