General Information of the Compound
| Compound ID |
CP0404464
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| Compound Name |
2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid (2,6-dichloro-pyrimidin-4-yl)-amide
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| Structure |
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| Formula |
C10H3Cl3F3N5O
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| Molecular Weight |
372.521
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| Canonical SMILES |
FC(F)(F)c1nc(Cl)ncc1C(=O)Nc1cc(Cl)nc(Cl)n1
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| InChI |
InChI=1S/C10H3Cl3F3N5O/c11-4-1-5(20-9(13)18-4)19-7(22)3-2-17-8(12)21-6(3)10(14,15)16/h1-2H,(H,18,19,20,22)
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| InChIKey |
VJBLSDVEUIUMEE-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