General Information of the Compound
| Compound ID |
CP0451163
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| Compound Name |
5-chloro-2-N-[5-[4-(dimethylamino)phenyl]pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Formula |
C24H20ClF3N6
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| Molecular Weight |
484.913
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| Canonical SMILES |
CN(C)c1ccc(cc1)-c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1
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| InChI |
InChI=1S/C24H20ClF3N6/c1-34(2)19-9-6-15(7-10-19)16-8-11-21(29-13-16)32-23-30-14-20(25)22(33-23)31-18-5-3-4-17(12-18)24(26,27)28/h3-14H,1-2H3,(H2,29,30,31,32,33)
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| InChIKey |
XXOZKOQBZDSJCB-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