General Information of the Compound
| Compound ID |
CP0446892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-5-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N4O
|
||||||||||||||||||
| Molecular Weight |
426.564
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N4O/c1-19-10-11-23-24(28-19)7-5-9-26(23)31-17-16-30(20(2)18-31)15-14-21-6-4-8-25-22(21)12-13-27(32)29(25)3/h4-13,20H,14-18H2,1-3H3/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DEGNGOWCMPZWDE-FQEVSTJZSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter