General Information of the Compound
| Compound ID |
CP0402515
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N6O3
|
||||||||||||||||||
| Molecular Weight |
422.489
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N6O3/c1-16(29)23-9-10-26-11-13-27(14-12-26)15-20(30)28-19-7-3-2-5-17(19)22(31)25-18-6-4-8-24-21(18)28/h2-8H,9-15H2,1H3,(H,23,29)(H,25,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQDPSXHKOQSFTH-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: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01713, Muscarinic acetylcholine receptor M3
Protein ID: PT01736, Muscarinic acetylcholine receptor M4