General Information of the Compound
| Compound ID |
CP0463053
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| Compound Name |
2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid (2,6-dimethyl-phenyl)-amide
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| Structure |
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| Formula |
C14H11ClF3N3O
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| Molecular Weight |
329.709
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| Canonical SMILES |
Cc1cccc(C)c1NC(=O)c1cnc(Cl)nc1C(F)(F)F
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| InChI |
InChI=1S/C14H11ClF3N3O/c1-7-4-3-5-8(2)10(7)20-12(22)9-6-19-13(15)21-11(9)14(16,17)18/h3-6H,1-2H3,(H,20,22)
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| InChIKey |
PWXZZDGNHHNDLW-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
Protein ID: PT06058, Cyclic AMP-dependent transcription factor ATF-1
Protein ID: PT01630, Nuclear factor NF-kappa-B p105 subunit