General Information of the Compound
| Compound ID |
CP0000788
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methyl-7-(5-propan-2-yloxypyridin-3-yl)-3-azabicyclo[3.3.1]non-6-ene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H24N2O
|
||||||||||||||||||
| Molecular Weight |
272.392
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1cncc(c1)C1=CC2CC(CN(C)C2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H24N2O/c1-12(2)20-17-7-16(8-18-9-17)15-5-13-4-14(6-15)11-19(3)10-13/h5,7-9,12-14H,4,6,10-11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKGJHXYHHLQEGC-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