General Information of the Compound
| Compound ID |
CP0433009
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| Compound Name |
(2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid
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| Structure |
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| Formula |
C17H16Cl2O3
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| Molecular Weight |
339.218
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| Canonical SMILES |
OC(=O)[C@H](CCCc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H16Cl2O3/c18-13-6-4-12(5-7-13)2-1-3-16(17(20)21)22-15-10-8-14(19)9-11-15/h4-11,16H,1-3H2,(H,20,21)/t16-/m0/s1
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| InChIKey |
DYMKKSCJTKAYLD-INIZCTEOSA-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: PT00915, Peroxisome proliferator-activated receptor gamma