General Information of the Compound
| Compound ID |
CP0372018
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7-a]quinazolin-7(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H17N3O
|
||||||||||||||||||
| Molecular Weight |
231.299
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc2N3CCNCCC3NC(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H17N3O/c1-9-3-2-4-10-12(9)13(17)15-11-5-6-14-7-8-16(10)11/h2-4,11,14H,5-8H2,1H3,(H,15,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDTOIAGIXRXDMI-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C