General Information of the Compound
| Compound ID |
CP0267779
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| Compound Name |
2-(4-chloro-6-(4-chlorophenylamino)pyrimidin-2-ylthio)-2-(naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C22H15Cl2N3O2S
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| Molecular Weight |
456.354
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| Canonical SMILES |
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc(Cl)cc2)n1)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H15Cl2N3O2S/c23-14-8-10-15(11-9-14)25-19-12-18(24)26-22(27-19)30-20(21(28)29)17-7-3-5-13-4-1-2-6-16(13)17/h1-12,20H,(H,28,29)(H,25,26,27)
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| InChIKey |
ZURVSPQUXUYAKK-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