General Information of the Compound
| Compound ID |
CP0541985
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(3-fluorophenyl)ethyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21F7N2O
|
||||||||||||||||||
| Molecular Weight |
450.398
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21F7N2O/c22-18-3-1-2-15(10-18)19(30-6-4-29-5-7-30)13-31-12-14-8-16(20(23,24)25)11-17(9-14)21(26,27)28/h1-3,8-11,19,29H,4-7,12-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTGZPWMFTWGIQB-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