General Information of the Compound
| Compound ID |
CP0853422
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-cyclobutyl-7-(piperidin-4-yloxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H28N2O
|
||||||||||||||||||
| Molecular Weight |
300.446
|
||||||||||||||||||
| Canonical SMILES |
c1cc2c(cc1OC1CCNCC1)CCN(C1CCC1)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H28N2O/c1-2-17(3-1)21-12-8-15-4-5-19(14-16(15)9-13-21)22-18-6-10-20-11-7-18/h4-5,14,17-18,20H,1-3,6-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLZVBZKBNMZJLE-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