General Information of the Compound
| Compound ID |
CP0245202
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| Compound Name |
2-(4-chloro-6-(naphthalen-2-ylamino)pyrimidin-2-ylthio)-2-(naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C26H18ClN3O2S
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| Molecular Weight |
471.969
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| Canonical SMILES |
OC(=O)C(Sc1nc(Cl)cc(Nc2ccc3ccccc3c2)n1)c1cccc2ccccc12
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| InChI |
InChI=1S/C26H18ClN3O2S/c27-22-15-23(28-19-13-12-16-6-1-2-8-18(16)14-19)30-26(29-22)33-24(25(31)32)21-11-5-9-17-7-3-4-10-20(17)21/h1-15,24H,(H,31,32)(H,28,29,30)
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| InChIKey |
FHLFDNGKWOUAFE-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