General Information of the Compound
| Compound ID |
CP0138712
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| Compound Name |
5-chloro-2-N-cyclohexyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Formula |
C17H18ClF3N4
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| Molecular Weight |
370.806
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc(NC3CCCCC3)ncc2Cl)c1
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| InChI |
InChI=1S/C17H18ClF3N4/c18-14-10-22-16(24-12-6-2-1-3-7-12)25-15(14)23-13-8-4-5-11(9-13)17(19,20)21/h4-5,8-10,12H,1-3,6-7H2,(H2,22,23,24,25)
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| InChIKey |
DLNHNOUISPOGPK-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