General Information of the Compound
| Compound ID |
CP0674370
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-((5-chloro-2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)amino)pyridin-3-yl)acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19ClN6O2
|
||||||||||||||||||
| Molecular Weight |
374.832
|
||||||||||||||||||
| Canonical SMILES |
C=CC(=O)Nc1cnccc1Nc1nc(NC2CCOCC2)ncc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19ClN6O2/c1-2-15(25)22-14-10-19-6-3-13(14)23-16-12(18)9-20-17(24-16)21-11-4-7-26-8-5-11/h2-3,6,9-11H,1,4-5,7-8H2,(H,22,25)(H2,19,20,21,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JEQVYDMONHXBKT-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: PT00850, Mitogen-activated protein kinase 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000045 | A-375 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 41 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|