General Information of the Compound
| Compound ID |
CP0187193
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-(trifluoromethyl)piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20BrClF3NO2
|
||||||||||||||||||
| Molecular Weight |
478.736
|
||||||||||||||||||
| Canonical SMILES |
OC1(CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20BrClF3NO2/c21-16-3-6-18(28-13-14-1-4-17(22)5-2-14)15(11-16)12-26-9-7-19(27,8-10-26)20(23,24)25/h1-6,11,27H,7-10,12-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WFSMTSDNZOMDND-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