General Information of the Compound
| Compound ID |
CP0551430
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| Compound Name |
N-[2,4-bis(trifluoromethyl)phenyl]-2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C14H5ClF9N3O
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| Molecular Weight |
437.649
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)c2cc(nc(Cl)n2)C(F)(F)F)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C14H5ClF9N3O/c15-11-26-8(4-9(27-11)14(22,23)24)10(28)25-7-2-1-5(12(16,17)18)3-6(7)13(19,20)21/h1-4H,(H,25,28)
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| InChIKey |
DJMQIHDLROZXOE-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