General Information of the Compound
| Compound ID |
CP0421119
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| Compound Name |
2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid (3,5-dimethoxy-phenyl)-amide
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| Structure |
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| Formula |
C14H11ClF3N3O3
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| Molecular Weight |
361.707
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| Canonical SMILES |
COc1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(OC)c1
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| InChI |
InChI=1S/C14H11ClF3N3O3/c1-23-8-3-7(4-9(5-8)24-2)20-12(22)10-6-19-13(15)21-11(10)14(16,17)18/h3-6H,1-2H3,(H,20,22)
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| InChIKey |
DXYNQZPOUWZUED-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