General Information of the Compound
| Compound ID |
CP0433552
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| Compound Name |
2-[4-[4-(4-aminobenzoyl)anilino]-6-chloropyrimidin-2-yl]sulfanyloctanoic acid
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| Structure |
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| Formula |
C25H27ClN4O3S
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| Molecular Weight |
499.036
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| Canonical SMILES |
CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)C(=O)c2ccc(N)cc2)n1)C(O)=O
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| InChI |
InChI=1S/C25H27ClN4O3S/c1-2-3-4-5-6-20(24(32)33)34-25-29-21(26)15-22(30-25)28-19-13-9-17(10-14-19)23(31)16-7-11-18(27)12-8-16/h7-15,20H,2-6,27H2,1H3,(H,32,33)(H,28,29,30)
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| InChIKey |
ILCZJJNFQICUSE-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