General Information of the Compound
| Compound ID |
CP0510836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-methoxyphenyl)-2,6-dimethyl-N-propylfuro[2,3-d]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21N3O2
|
||||||||||||||||||
| Molecular Weight |
311.385
|
||||||||||||||||||
| Canonical SMILES |
CCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21N3O2/c1-5-10-21(14-6-8-15(22-4)9-7-14)17-16-11-12(2)23-18(16)20-13(3)19-17/h6-9,11H,5,10H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPQFPSZHEIFSMF-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 = 42.3 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|
| CL000112 | MDA-MB-435 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1400 nM
|
TI
LI
LO
TS
|
|