General Information of the Compound
| Compound ID |
CP0761405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24ClN5O
|
||||||||||||||||||
| Molecular Weight |
397.91
|
||||||||||||||||||
| Canonical SMILES |
Cl.Nc1nc2ccccc2nc1NC(=O)c1ccc(CN2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N5O.ClH/c22-19-20(24-18-7-3-2-6-17(18)23-19)25-21(27)16-10-8-15(9-11-16)14-26-12-4-1-5-13-26;/h2-3,6-11H,1,4-5,12-14H2,(H2,22,23)(H,24,25,27);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
OFJDLSDRRRGLBI-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: PT01711, Histamine H4 receptor