General Information of the Compound
| Compound ID |
CP0506317
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)-2-(pyridin-4-ylmethoxy)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19ClFN3O2
|
||||||||||||||||||
| Molecular Weight |
363.82
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(Cl)ccc1N1CCN(CC1)C(=O)COCc1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19ClFN3O2/c19-15-1-2-17(16(20)11-15)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OARMBUFDWXNMIR-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