General Information of the Compound
| Compound ID |
CP0075562
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| Compound Name |
3-(4-(3-((5-chloro-1,3-dimethyl-1H-indole-2-carboxamido)methyl)phenoxy)-2-methylphenyl)propanoic acid
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| Structure |
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| Formula |
C28H27ClN2O4
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| Molecular Weight |
490.987
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| Canonical SMILES |
Cc1c(C(=O)NCc2cccc(Oc3ccc(CCC(O)=O)c(C)c3)c2)n(C)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C28H27ClN2O4/c1-17-13-23(10-7-20(17)8-12-26(32)33)35-22-6-4-5-19(14-22)16-30-28(34)27-18(2)24-15-21(29)9-11-25(24)31(27)3/h4-7,9-11,13-15H,8,12,16H2,1-3H3,(H,30,34)(H,32,33)
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| InChIKey |
SYVYIPUEDUCDLG-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