General Information of the Compound
| Compound ID |
CP0225016
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| Compound Name |
2-(4-chloro-6-(3,4-dimethylphenylamino)pyrimidin-2-ylthio)-2-(naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C24H20ClN3O2S
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| Molecular Weight |
449.963
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| Canonical SMILES |
Cc1ccc(Nc2cc(Cl)nc(SC(C(O)=O)c3cccc4ccccc34)n2)cc1C
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| InChI |
InChI=1S/C24H20ClN3O2S/c1-14-10-11-17(12-15(14)2)26-21-13-20(25)27-24(28-21)31-22(23(29)30)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,22H,1-2H3,(H,29,30)(H,26,27,28)
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| InChIKey |
UEQNACZGOCKYJM-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: PT02025, Prostaglandin E synthase