General Information of the Compound
| Compound ID |
CP0425329
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| Compound Name |
2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid phenylamide
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| Structure |
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| Formula |
C12H7ClF3N3O
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| Molecular Weight |
301.655
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| Canonical SMILES |
FC(F)(F)c1nc(Cl)ncc1C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C12H7ClF3N3O/c13-11-17-6-8(9(19-11)12(14,15)16)10(20)18-7-4-2-1-3-5-7/h1-6H,(H,18,20)
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| InChIKey |
JLOWJSCEKDRUFL-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