General Information of the Compound
| Compound ID |
CP0480419
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| Compound Name |
2-Butylamino-4-trifluoromethyl-pyrimidine-5-carboxylic acid (3,5-dichloro-phenyl)-amide
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| Structure |
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| Formula |
C16H15Cl2F3N4O
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| Molecular Weight |
407.223
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| Canonical SMILES |
CCCCNc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(n1)C(F)(F)F
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| InChI |
InChI=1S/C16H15Cl2F3N4O/c1-2-3-4-22-15-23-8-12(13(25-15)16(19,20)21)14(26)24-11-6-9(17)5-10(18)7-11/h5-8H,2-4H2,1H3,(H,24,26)(H,22,23,25)
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| InChIKey |
PLMORJHEWFLVRZ-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