General Information of the Compound
| Compound ID |
CP0474633
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| Compound Name |
2-Piperidin-1-yl-4-trifluoromethyl-pyrimidine-5-carboxylic acid (3,5-dichloro-phenyl)-amide
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| Structure |
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| Formula |
C17H15Cl2F3N4O
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| Molecular Weight |
419.234
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| Canonical SMILES |
FC(F)(F)c1nc(ncc1C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCCC1
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| InChI |
InChI=1S/C17H15Cl2F3N4O/c18-10-6-11(19)8-12(7-10)24-15(27)13-9-23-16(25-14(13)17(20,21)22)26-4-2-1-3-5-26/h6-9H,1-5H2,(H,24,27)
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| InChIKey |
SLJGPGQFDVGRJP-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