General Information of the Compound
| Compound ID |
CP0897829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(1-Ethyl-propyl)-piperazin-1-yl]-2-(4-trifluoromethoxy-phenoxy)-ethanone hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H26ClF3N2O3
|
||||||||||||||||||
| Molecular Weight |
410.864
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)N1CCN(C(=O)COc2ccc(OC(F)(F)F)cc2)CC1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H25F3N2O3.ClH/c1-3-14(4-2)22-9-11-23(12-10-22)17(24)13-25-15-5-7-16(8-6-15)26-18(19,20)21;/h5-8,14H,3-4,9-13H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
YHMAONAJGZEAMN-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