General Information of the Compound
| Compound ID |
CP0423701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N4O2
|
||||||||||||||||||
| Molecular Weight |
416.525
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c(cccc2n1)N1CCN(CCCc2cccc3NC(=O)COc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N4O2/c1-18-10-11-20-21(26-18)7-3-9-23(20)29-15-13-28(14-16-29)12-4-6-19-5-2-8-22-25(19)31-17-24(30)27-22/h2-3,5,7-11H,4,6,12-17H2,1H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACMJXMGGOZMZJM-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter