General Information of the Compound
| Compound ID |
CP0394732
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| Compound Name |
3-[4-(3-cyano-1-pyridin-2-ylindazol-6-yl)phenyl]propanoic acid
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| Structure |
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| Formula |
C22H16N4O2
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| Molecular Weight |
368.396
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1)-c1ccc2c(nn(-c3ccccn3)c2c1)C#N
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| InChI |
InChI=1S/C22H16N4O2/c23-14-19-18-10-9-17(16-7-4-15(5-8-16)6-11-22(27)28)13-20(18)26(25-19)21-3-1-2-12-24-21/h1-5,7-10,12-13H,6,11H2,(H,27,28)
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| InChIKey |
WTZBWVUYQRHSRU-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: PT04613, Free fatty acid receptor 1
Protein ID: PT04427, Free fatty acid receptor 4