General Information of the Compound
| Compound ID |
CP0497630
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| Compound Name |
2-(3-(4-(2-(3,5-dichlorophenoxy)ethylcarbamoyl)-5-phenylisoxazol-3-yl)phenyl)acetic acid
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| Structure |
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| Formula |
C26H20Cl2N2O5
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| Molecular Weight |
511.361
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| Canonical SMILES |
OC(=O)Cc1cccc(c1)-c1noc(c1C(=O)NCCOc1cc(Cl)cc(Cl)c1)-c1ccccc1
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| InChI |
InChI=1S/C26H20Cl2N2O5/c27-19-13-20(28)15-21(14-19)34-10-9-29-26(33)23-24(18-8-4-5-16(11-18)12-22(31)32)30-35-25(23)17-6-2-1-3-7-17/h1-8,11,13-15H,9-10,12H2,(H,29,33)(H,31,32)
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| InChIKey |
GCTNYGSNXGCPAZ-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