General Information of the Compound
| Compound ID |
CP0471827
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| Compound Name |
1-(2-chloropyridin-4-yl)-3-[2-(trifluoromethyl)pyridin-4-yl]urea
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| Structure |
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| Formula |
C12H8ClF3N4O
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| Molecular Weight |
316.67
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)Nc2ccnc(Cl)c2)ccn1
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| InChI |
InChI=1S/C12H8ClF3N4O/c13-10-6-8(2-4-18-10)20-11(21)19-7-1-3-17-9(5-7)12(14,15)16/h1-6H,(H2,17,18,19,20,21)
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| InChIKey |
HQYQXQQPQJWOAU-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: PT03585, Probable global transcription activator SNF2L2
Protein ID: PT03301, Transcription activator BRG1