General Information of the Compound
| Compound ID |
CP0455134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
11-[2-(4-Methyl-piperazin-1-yl)-acetyl]-8-methylsulfanyl-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23N5O2S
|
||||||||||||||||||
| Molecular Weight |
397.504
|
||||||||||||||||||
| Canonical SMILES |
CSc1ccc2N(C(=O)CN3CCN(C)CC3)c3ncccc3NC(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N5O2S/c1-23-8-10-24(11-9-23)13-18(26)25-17-6-5-14(28-2)12-15(17)20(27)22-16-4-3-7-21-19(16)25/h3-7,12H,8-11,13H2,1-2H3,(H,22,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDBQHFCCCJACKU-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