General Information of the Compound
| Compound ID |
CP0861290
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-ethyl-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20N4O
|
||||||||||||||||||
| Molecular Weight |
296.374
|
||||||||||||||||||
| Canonical SMILES |
CCc1nc(N2CCN(C)CC2)c2oc3ccccc3c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20N4O/c1-3-14-18-15-12-6-4-5-7-13(12)22-16(15)17(19-14)21-10-8-20(2)9-11-21/h4-7H,3,8-11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASDWPEHJDKKDRB-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01711, Histamine H4 receptor