General Information of the Compound
| Compound ID |
CP0864830
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]pyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
347.205
|
||||||||||||||||||
| Canonical SMILES |
Cc1[nH]nc(NC(=O)c2ccccn2)c1-c1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12Cl2N4O/c1-9-14(10-5-6-11(17)12(18)8-10)15(22-21-9)20-16(23)13-4-2-3-7-19-13/h2-8H,1H3,(H2,20,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HBJKUJXDSAMGCN-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: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta
Protein ID: PT01072, Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Protein ID: PT03652, Mitogen-activated protein kinase kinase kinase 14