General Information of the Compound
| Compound ID |
CP0176687
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| Compound Name |
5-chloro-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Formula |
C22H22ClF3N6
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| Molecular Weight |
462.907
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)cc1
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| InChI |
InChI=1S/C22H22ClF3N6/c1-31-9-11-32(12-10-31)18-7-5-16(6-8-18)29-21-27-14-19(23)20(30-21)28-17-4-2-3-15(13-17)22(24,25)26/h2-8,13-14H,9-12H2,1H3,(H2,27,28,29,30)
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| InChIKey |
CJGXYTXDCLOCPM-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