General Information of the Compound
| Compound ID |
CP0430181
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-(3,4-Dimethyl-phenyl)-piperidin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N2O2
|
||||||||||||||||||
| Molecular Weight |
350.462
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1C)C1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N2O2/c1-15-3-5-19(11-16(15)2)18-7-9-24(10-8-18)13-17-4-6-21-20(12-17)23-22(25)14-26-21/h3-6,11-12,18H,7-10,13-14H2,1-2H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UROZVASCLWFZOW-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
Protein ID: PT01161, D(4) dopamine receptor