General Information of the Compound
| Compound ID |
CP0880810
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-isobutyl-6-((4-(2-(2-methylquinolin-5-yloxy)ethyl)piperazin-1-yl)methyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H36N4O3
|
||||||||||||||||||
| Molecular Weight |
488.632
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(CC(C)C)C(=O)CO5)CC3)cccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36N4O3/c1-21(2)18-33-26-17-23(8-10-28(26)36-20-29(33)34)19-32-13-11-31(12-14-32)15-16-35-27-6-4-5-25-24(27)9-7-22(3)30-25/h4-10,17,21H,11-16,18-20H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FBMSAIJAXIAMBH-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D