General Information of the Compound
| Compound ID |
CP0480706
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| Compound Name |
2-[4-(4-benzylanilino)-6-chloropyrimidin-2-yl]sulfanyloctanoic acid
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| Structure |
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| Formula |
C25H28ClN3O2S
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| Molecular Weight |
470.038
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| Canonical SMILES |
CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(Cc3ccccc3)cc2)n1)C(O)=O
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| InChI |
InChI=1S/C25H28ClN3O2S/c1-2-3-4-8-11-21(24(30)31)32-25-28-22(26)17-23(29-25)27-20-14-12-19(13-15-20)16-18-9-6-5-7-10-18/h5-7,9-10,12-15,17,21H,2-4,8,11,16H2,1H3,(H,30,31)(H,27,28,29)
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| InChIKey |
GCOWGQRVXBEWBO-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