General Information of the Compound
| Compound ID |
CP0543737
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| Compound Name |
4-N-[3-chloro-4-(trifluoromethyl)phenyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H14ClF3N6
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| Molecular Weight |
382.777
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| Canonical SMILES |
Cc1cc(C)n(n1)-c1cc(Nc2ccc(c(Cl)c2)C(F)(F)F)nc(N)n1
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| InChI |
InChI=1S/C16H14ClF3N6/c1-8-5-9(2)26(25-8)14-7-13(23-15(21)24-14)22-10-3-4-11(12(17)6-10)16(18,19)20/h3-7H,1-2H3,(H3,21,22,23,24)
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| InChIKey |
LABIHYKHHMSVJU-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