General Information of the Compound
| Compound ID |
CP0468846
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| Compound Name |
(2R)-2-methyl-3-[4-(1-pyridin-2-ylindazol-6-yl)phenyl]propanoic acid
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| Structure |
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| Formula |
C22H19N3O2
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| Molecular Weight |
357.413
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| Canonical SMILES |
C[C@H](Cc1ccc(cc1)-c1ccc2cnn(-c3ccccn3)c2c1)C(O)=O
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| InChI |
InChI=1S/C22H19N3O2/c1-15(22(26)27)12-16-5-7-17(8-6-16)18-9-10-19-14-24-25(20(19)13-18)21-4-2-3-11-23-21/h2-11,13-15H,12H2,1H3,(H,26,27)/t15-/m1/s1
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| InChIKey |
GCSJWOJPWPYSCO-OAHLLOKOSA-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