General Information of the Compound
| Compound ID |
CP0399909
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| Compound Name |
2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid (3-carbamoyl-5-trifluoromethyl-phenyl)-amide
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| Structure |
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| Formula |
C14H7ClF6N4O2
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| Molecular Weight |
412.677
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| Canonical SMILES |
NC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C14H7ClF6N4O2/c15-12-23-4-8(9(25-12)14(19,20)21)11(27)24-7-2-5(10(22)26)1-6(3-7)13(16,17)18/h1-4H,(H2,22,26)(H,24,27)
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| InChIKey |
UUGWBWXXEMRPRH-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