General Information of the Compound
| Compound ID |
CP0408829
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| Compound Name |
2,2-dimethyl-3-[4-(3-methyl-1-pyridin-2-ylindazol-6-yl)phenyl]propanoic acid
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| Structure |
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| Formula |
C24H23N3O2
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| Molecular Weight |
385.467
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| Canonical SMILES |
Cc1nn(-c2ccccn2)c2cc(ccc12)-c1ccc(CC(C)(C)C(O)=O)cc1
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| InChI |
InChI=1S/C24H23N3O2/c1-16-20-12-11-19(14-21(20)27(26-16)22-6-4-5-13-25-22)18-9-7-17(8-10-18)15-24(2,3)23(28)29/h4-14H,15H2,1-3H3,(H,28,29)
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| InChIKey |
PHJNOPUDEUHYKJ-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