General Information of the Compound
| Compound ID |
CP0553536
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(4-phenylpiperazin-1-yl)butyl]imidazo[1,2-a]pyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N5O
|
||||||||||||||||||
| Molecular Weight |
377.492
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cn2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N5O/c28-22(20-18-27-13-6-4-10-21(27)24-20)23-11-5-7-12-25-14-16-26(17-15-25)19-8-2-1-3-9-19/h1-4,6,8-10,13,18H,5,7,11-12,14-17H2,(H,23,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVJCGWLQVQHHKA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor