General Information of the Compound
| Compound ID |
CP0408830
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| Compound Name |
3-[3-methoxy-4-(3-methyl-1-pyridin-2-ylindazol-6-yl)phenyl]propanoic acid
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| Structure |
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| Formula |
C23H21N3O3
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| Molecular Weight |
387.439
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| Canonical SMILES |
COc1cc(CCC(O)=O)ccc1-c1ccc2c(C)nn(-c3ccccn3)c2c1
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| InChI |
InChI=1S/C23H21N3O3/c1-15-18-10-8-17(14-20(18)26(25-15)22-5-3-4-12-24-22)19-9-6-16(7-11-23(27)28)13-21(19)29-2/h3-6,8-10,12-14H,7,11H2,1-2H3,(H,27,28)
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| InChIKey |
NKHFJCOHWCPRRR-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