General Information of the Compound
| Compound ID |
CP0877991
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-Benzyl-N-(4-methoxyphenyl)-2,5-dimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23ClN4O
|
||||||||||||||||||
| Molecular Weight |
394.906
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Nc2nc(C)nc3c(Cc4ccccc4)cn(C)c23)cc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N4O.ClH/c1-15-23-20-17(13-16-7-5-4-6-8-16)14-26(2)21(20)22(24-15)25-18-9-11-19(27-3)12-10-18;/h4-12,14H,13H2,1-3H3,(H,23,24,25);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
XGOKJFJCNFHENT-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: PT00922, Epidermal growth factor receptor
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 | |
| CL000052 | A-431 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2.3 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|