General Information of the Compound
| Compound ID |
CP0487906
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(10H-imidazo[1,2-b][2]benzazepin-4-yl)-2,6-dimethylpiperazin-1-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N4O2
|
||||||||||||||||||
| Molecular Weight |
366.465
|
||||||||||||||||||
| Canonical SMILES |
CC1CN(CC(C)N1CCC(O)=O)C1=Cc2ccccc2Cn2ccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N4O2/c1-15-12-24(13-16(2)25(15)9-7-20(26)27)19-11-17-5-3-4-6-18(17)14-23-10-8-22-21(19)23/h3-6,8,10-11,15-16H,7,9,12-14H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZXFALDNPMLUADA-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