General Information of the Compound
| Compound ID |
CP0404840
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| Compound Name |
2-Chloro-4-ethyl-pyrimidine-5-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)-amide
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| Structure |
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| Formula |
C15H10ClF6N3O
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| Molecular Weight |
397.706
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| Canonical SMILES |
CCc1nc(Cl)ncc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C15H10ClF6N3O/c1-2-11-10(6-23-13(16)25-11)12(26)24-9-4-7(14(17,18)19)3-8(5-9)15(20,21)22/h3-6H,2H2,1H3,(H,24,26)
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| InChIKey |
ODRMXBSDOYWKNE-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