General Information of the Compound
| Compound ID |
CP0384541
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| Compound Name |
2-[4-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-6-chloropyrimidin-2-yl]sulfanyloctanoic acid
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| Structure |
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| Formula |
C22H24BrClN4O2S2
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| Molecular Weight |
555.951
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| Canonical SMILES |
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccc(Br)cc2)n1)C(O)=O
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| InChI |
InChI=1S/C22H24BrClN4O2S2/c1-3-4-5-6-7-16(20(29)30)32-21-25-17(24)12-18(26-21)27-22-28-19(13(2)31-22)14-8-10-15(23)11-9-14/h8-12,16H,3-7H2,1-2H3,(H,29,30)(H,25,26,27,28)
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| InChIKey |
STHHWRMRUPLWFM-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
Protein ID: PT01242, Polyunsaturated fatty acid 5-lipoxygenase
Protein ID: PT02025, Prostaglandin E synthase