General Information of the Compound
| Compound ID |
CP0391886
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24ClF3N2O
|
||||||||||||||||||
| Molecular Weight |
436.905
|
||||||||||||||||||
| Canonical SMILES |
CN1CC2CCC1(CC2)C(NC(=O)c1cccc(c1Cl)C(F)(F)F)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24ClF3N2O/c1-29-14-15-10-12-22(29,13-11-15)20(16-6-3-2-4-7-16)28-21(30)17-8-5-9-18(19(17)24)23(25,26)27/h2-9,15,20H,10-14H2,1H3,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DEXIHFHWGDUZEE-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