General Information of the Compound
| Compound ID |
CP0433551
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| Compound Name |
2-[4-chloro-6-(4-phenoxyanilino)pyrimidin-2-yl]sulfanyloctanoic acid
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| Structure |
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| Formula |
C24H26ClN3O3S
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| Molecular Weight |
472.01
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| Canonical SMILES |
CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Oc3ccccc3)cc2)n1)C(O)=O
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| InChI |
InChI=1S/C24H26ClN3O3S/c1-2-3-4-8-11-20(23(29)30)32-24-27-21(25)16-22(28-24)26-17-12-14-19(15-13-17)31-18-9-6-5-7-10-18/h5-7,9-10,12-16,20H,2-4,8,11H2,1H3,(H,29,30)(H,26,27,28)
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| InChIKey |
LJNZOEDPQZEKCO-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: PT00915, Peroxisome proliferator-activated receptor gamma