General Information of the Compound
| Compound ID |
CP0477733
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(3-methylphenyl)methyl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26ClF3N2O
|
||||||||||||||||||
| Molecular Weight |
450.932
|
||||||||||||||||||
| Canonical SMILES |
CN1CC2CCC1(CC2)C(NC(=O)c1cccc(c1Cl)C(F)(F)F)c1cccc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26ClF3N2O/c1-15-5-3-6-17(13-15)21(23-11-9-16(10-12-23)14-30(23)2)29-22(31)18-7-4-8-19(20(18)25)24(26,27)28/h3-8,13,16,21H,9-12,14H2,1-2H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RQHNSPVGGKOEFK-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