General Information of the Compound
| Compound ID |
CP0473978
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| Compound Name |
2-[4-(4-anilinoanilino)-6-chloropyrimidin-2-yl]sulfanylacetic acid
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| Structure |
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| Formula |
C18H15ClN4O2S
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| Molecular Weight |
386.864
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| Canonical SMILES |
OC(=O)CSc1nc(Cl)cc(Nc2ccc(Nc3ccccc3)cc2)n1
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| InChI |
InChI=1S/C18H15ClN4O2S/c19-15-10-16(23-18(22-15)26-11-17(24)25)21-14-8-6-13(7-9-14)20-12-4-2-1-3-5-12/h1-10,20H,11H2,(H,24,25)(H,21,22,23)
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| InChIKey |
YENRXHUCHIMRDZ-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