General Information of the Compound
| Compound ID |
CP0040402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N4O2
|
||||||||||||||||||
| Molecular Weight |
416.525
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCOC2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N4O2/c1-19-8-9-22-23(26-19)6-3-7-24(22)28-14-12-27(13-15-28)11-10-20-4-2-5-21(18-20)29-16-17-31-25(29)30/h2-9,18H,10-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGKITGMYHCRUFD-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