General Information of the Compound
| Compound ID |
CP0035109
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| Compound Name |
3-(4-(3-((4-chloro-1H-indole-2-carboxamido)methyl)phenoxy)-2-methylphenyl)propanoic acid
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| Structure |
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| Formula |
C26H23ClN2O4
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| Molecular Weight |
462.933
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| Canonical SMILES |
Cc1cc(Oc2cccc(CNC(=O)c3cc4c(Cl)cccc4[nH]3)c2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C26H23ClN2O4/c1-16-12-20(10-8-18(16)9-11-25(30)31)33-19-5-2-4-17(13-19)15-28-26(32)24-14-21-22(27)6-3-7-23(21)29-24/h2-8,10,12-14,29H,9,11,15H2,1H3,(H,28,32)(H,30,31)
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| InChIKey |
NXOVPNGYQKFFLP-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