General Information of the Compound
| Compound ID |
CP0400788
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| Compound Name |
2-Cyano-4-trifluoromethyl-pyrimidine-5-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)-amide
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| Structure |
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| Formula |
C15H5F9N4O
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| Molecular Weight |
428.214
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)c2cnc(nc2C(F)(F)F)C#N)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C15H5F9N4O/c16-13(17,18)6-1-7(14(19,20)21)3-8(2-6)27-12(29)9-5-26-10(4-25)28-11(9)15(22,23)24/h1-3,5H,(H,27,29)
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| InChIKey |
RIAHUZSRAVBANR-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