General Information of the Compound
| Compound ID |
CP0425809
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(2-chloro-4-fluorophenyl)piperidin-1-yl)-2-(pyridin-4-ylmethoxy)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20ClFN2O2
|
||||||||||||||||||
| Molecular Weight |
362.832
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(C2CCN(CC2)C(=O)COCc2ccncc2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20ClFN2O2/c20-18-11-16(21)1-2-17(18)15-5-9-23(10-6-15)19(24)13-25-12-14-3-7-22-8-4-14/h1-4,7-8,11,15H,5-6,9-10,12-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPVQGFYVDDQOET-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