General Information of the Compound
| Compound ID |
CP0483207
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| Compound Name |
2-Benzylamino-4-trifluoromethyl-pyrimidine-5-carboxylic acid (3,5-dichloro-phenyl)-amide
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| Structure |
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| Formula |
C19H13Cl2F3N4O
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| Molecular Weight |
441.24
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| Canonical SMILES |
FC(F)(F)c1nc(NCc2ccccc2)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C19H13Cl2F3N4O/c20-12-6-13(21)8-14(7-12)27-17(29)15-10-26-18(28-16(15)19(22,23)24)25-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,27,29)(H,25,26,28)
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| InChIKey |
IZAOYCLUCVPROS-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