General Information of the Compound
| Compound ID |
CP0374582
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(10H-imidazo[1,2-b][2]benzazepin-4-yl)piperazin-1-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22N4O2
|
||||||||||||||||||
| Molecular Weight |
338.411
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22N4O2/c24-18(25)5-7-21-9-11-22(12-10-21)17-13-15-3-1-2-4-16(15)14-23-8-6-20-19(17)23/h1-4,6,8,13H,5,7,9-12,14H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXQLVBTWUUQZBI-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01206, Histamine H1 receptor