General Information of the Compound
| Compound ID |
CP0891179
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-((4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl)phenyl)nicotinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H23N7O2
|
||||||||||||||||||
| Molecular Weight |
501.55
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(NC(=O)c3cccnc3)cc2)cc1Nc1nccc(-c2cccnc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H23N7O2/c1-19-6-9-24(16-26(19)36-29-32-15-12-25(35-29)21-4-2-13-30-17-21)34-27(37)20-7-10-23(11-8-20)33-28(38)22-5-3-14-31-18-22/h2-18H,1H3,(H,33,38)(H,34,37)(H,32,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUNACXYLULUPAD-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: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000077 | Ba/F3 | Mus musculus (Mouse) | 1 |
| 1 |
GI50 = 1700 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|