General Information of the Compound
| Compound ID |
CP0446637
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| Compound Name |
3-[4-(3-methoxy-1-pyridin-2-ylindazol-6-yl)phenyl]propanoic acid
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| Structure |
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| Formula |
C22H19N3O3
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| Molecular Weight |
373.412
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| Canonical SMILES |
COc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C22H19N3O3/c1-28-22-18-11-10-17(16-8-5-15(6-9-16)7-12-21(26)27)14-19(18)25(24-22)20-4-2-3-13-23-20/h2-6,8-11,13-14H,7,12H2,1H3,(H,26,27)
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| InChIKey |
UPMPHKHHQWZTLP-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