General Information of the Compound
| Compound ID |
CP0424450
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-propan-2-yl-7-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]thieno[2,3-d]pyridazin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N3O2S
|
||||||||||||||||||
| Molecular Weight |
397.544
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1nc(-c2ccc(OCCCN3CCCC3)cc2)c2sccc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N3O2S/c1-16(2)25-22(26)19-10-15-28-21(19)20(23-25)17-6-8-18(9-7-17)27-14-5-13-24-11-3-4-12-24/h6-10,15-16H,3-5,11-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUYZKTMOTGXDDD-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor