General Information of the Compound
| Compound ID |
CP0509861
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| Compound Name |
2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid (3,5-dichloro-phenyl)-methyl-amide
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| Structure |
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| Formula |
C13H7Cl3F3N3O
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| Molecular Weight |
384.572
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| Canonical SMILES |
CN(C(=O)c1cnc(Cl)nc1C(F)(F)F)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C13H7Cl3F3N3O/c1-22(8-3-6(14)2-7(15)4-8)11(23)9-5-20-12(16)21-10(9)13(17,18)19/h2-5H,1H3
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| InChIKey |
JWEDZQKRKLRVCT-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