General Information of the Compound
| Compound ID |
CP0261714
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| Compound Name |
3-(4-(3-((5,6-dichloro-1H-indole-2-carboxamido)methyl)phenoxy)-2-methylphenyl)propanoic acid
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| Structure |
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| Formula |
C26H22Cl2N2O4
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| Molecular Weight |
497.378
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| Canonical SMILES |
Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)c(Cl)cc4[nH]3)c2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C26H22Cl2N2O4/c1-15-9-20(7-5-17(15)6-8-25(31)32)34-19-4-2-3-16(10-19)14-29-26(33)24-12-18-11-21(27)22(28)13-23(18)30-24/h2-5,7,9-13,30H,6,8,14H2,1H3,(H,29,33)(H,31,32)
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| InChIKey |
DCPNQRIWTPRDLD-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