General Information of the Compound
| Compound ID |
CP0001666
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[5-(trifluoromethyl)pyridin-3-yl]-3-azabicyclo[3.3.1]non-6-ene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H15F3N2
|
||||||||||||||||||
| Molecular Weight |
268.282
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cncc(c1)C1=CC2CNCC(C2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H15F3N2/c15-14(16,17)13-4-12(7-19-8-13)11-2-9-1-10(3-11)6-18-5-9/h2,4,7-10,18H,1,3,5-6H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNTSAGFCYYBUKZ-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