General Information of the Compound
| Compound ID |
CP0051472
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| Compound Name |
3-(4-(3-((5-chloro-1-methyl-1H-indole-2-carboxamido)methyl)phenoxy)-2-methylphenyl)propanoic acid
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| Structure |
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| Formula |
C27H25ClN2O4
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| Molecular Weight |
476.96
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| Canonical SMILES |
Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C27H25ClN2O4/c1-17-12-23(9-6-19(17)7-11-26(31)32)34-22-5-3-4-18(13-22)16-29-27(33)25-15-20-14-21(28)8-10-24(20)30(25)2/h3-6,8-10,12-15H,7,11,16H2,1-2H3,(H,29,33)(H,31,32)
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| InChIKey |
LCOLZKUTZKYABX-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma