General Information of the Compound
| Compound ID |
CP0132348
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| Compound Name |
2-N-[5-(4-aminophenyl)pyridin-2-yl]-5-chloro-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Formula |
C22H16ClF3N6
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| Molecular Weight |
456.859
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| Canonical SMILES |
Nc1ccc(cc1)-c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1
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| InChI |
InChI=1S/C22H16ClF3N6/c23-18-12-29-21(32-20(18)30-17-3-1-2-15(10-17)22(24,25)26)31-19-9-6-14(11-28-19)13-4-7-16(27)8-5-13/h1-12H,27H2,(H2,28,29,30,31,32)
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| InChIKey |
ACTYGNXJGLFMRG-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