General Information of the Compound
| Compound ID |
CP0132347
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| Compound Name |
5-chloro-2-N-(5-phenylpyridin-2-yl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Formula |
C22H15ClF3N5
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| Molecular Weight |
441.844
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)-c3ccccc3)ncc2Cl)c1
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| InChI |
InChI=1S/C22H15ClF3N5/c23-18-13-28-21(30-19-10-9-15(12-27-19)14-5-2-1-3-6-14)31-20(18)29-17-8-4-7-16(11-17)22(24,25)26/h1-13H,(H2,27,28,29,30,31)
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| InChIKey |
ICOKEPHBAONPHG-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