General Information of the Compound
| Compound ID |
CP0500182
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| Compound Name |
2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid (5-methyl-thiophen-2-yl)-amide
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| Structure |
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| Formula |
C11H7ClF3N3OS
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| Molecular Weight |
321.711
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)s1
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| InChI |
InChI=1S/C11H7ClF3N3OS/c1-5-2-3-7(20-5)17-9(19)6-4-16-10(12)18-8(6)11(13,14)15/h2-4H,1H3,(H,17,19)
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| InChIKey |
PIMXIBRTRAINKM-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