General Information of the Compound
| Compound ID |
CP0400356
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| Compound Name |
2-[4-chloro-6-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanyloctanoic acid
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| Structure |
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| Formula |
C21H23ClN4O2S2
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| Molecular Weight |
463.028
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| Canonical SMILES |
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccccc2)n1)C(O)=O
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| InChI |
InChI=1S/C21H23ClN4O2S2/c1-2-3-4-8-11-16(19(27)28)30-21-24-17(22)12-18(26-21)25-20-23-15(13-29-20)14-9-6-5-7-10-14/h5-7,9-10,12-13,16H,2-4,8,11H2,1H3,(H,27,28)(H,23,24,25,26)
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| InChIKey |
YJPASFGBZHPHCG-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: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT01242, Polyunsaturated fatty acid 5-lipoxygenase
Protein ID: PT02025, Prostaglandin E synthase