General Information of the Compound
| Compound ID |
CP0375890
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic acid benzyl-(3,5-dichloro-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H11Cl3F3N3O
|
||||||||||||||||||
| Molecular Weight |
460.67
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1nc(Cl)ncc1C(=O)N(Cc1ccccc1)c1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H11Cl3F3N3O/c20-12-6-13(21)8-14(7-12)28(10-11-4-2-1-3-5-11)17(29)15-9-26-18(22)27-16(15)19(23,24)25/h1-9H,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OPTIOIOLPFOMBK-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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