General Information of the Compound
| Compound ID |
CP0480705
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| Compound Name |
2-[4-(4-anilinoanilino)-6-chloropyrimidin-2-yl]sulfanylhexanoic acid
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| Structure |
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| Formula |
C22H23ClN4O2S
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| Molecular Weight |
442.972
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| Canonical SMILES |
CCCCC(Sc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1)C(O)=O
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| InChI |
InChI=1S/C22H23ClN4O2S/c1-2-3-9-18(21(28)29)30-22-26-19(23)14-20(27-22)25-17-12-10-16(11-13-17)24-15-7-5-4-6-8-15/h4-8,10-14,18,24H,2-3,9H2,1H3,(H,28,29)(H,25,26,27)
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| InChIKey |
ILFCCNWAYAKTGG-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