General Information of the Compound
| Compound ID |
CP0477585
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2-dimethyl-3-[4-(2-methyl-10H-imidazo[1,2-b][2]benzazepin-4-yl)piperazin-1-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N4O2
|
||||||||||||||||||
| Molecular Weight |
380.492
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn2Cc3ccccc3C=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N4O2/c1-16-13-26-14-18-7-5-4-6-17(18)12-19(20(26)23-16)25-10-8-24(9-11-25)15-22(2,3)21(27)28/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAWGTZDKZCZPKP-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