General Information of the Compound
| Compound ID |
CP0564774
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| Compound Name |
5-chloro-2-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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| Formula |
C17H11ClF4N4
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| Molecular Weight |
382.748
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| Canonical SMILES |
Fc1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)cc1
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| InChI |
InChI=1S/C17H11ClF4N4/c18-14-9-23-16(25-12-6-4-11(19)5-7-12)26-15(14)24-13-3-1-2-10(8-13)17(20,21)22/h1-9H,(H2,23,24,25,26)
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| InChIKey |
UGBDWDUEHMHBDO-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