General Information of the Compound
| Compound ID |
CP0215922
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(7-(3-(piperidin-1-yl)propoxy)-1,2,4,5-tetrahydrobenzo[d]azepin-3-yl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H30N2O2
|
||||||||||||||||||
| Molecular Weight |
330.472
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H30N2O2/c1-17(23)22-13-8-18-6-7-20(16-19(18)9-14-22)24-15-5-12-21-10-3-2-4-11-21/h6-7,16H,2-5,8-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GECAJSXILIIQAM-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