General Information of the Compound
| Compound ID |
CP0423810
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26ClN3O2
|
||||||||||||||||||
| Molecular Weight |
435.955
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(OCC(=O)NC2CCN(Cc3ccc(cc3)-c3ccccn3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26ClN3O2/c26-21-4-3-5-23(16-21)31-18-25(30)28-22-11-14-29(15-12-22)17-19-7-9-20(10-8-19)24-6-1-2-13-27-24/h1-10,13,16,22H,11-12,14-15,17-18H2,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SYBNLTUHRJAZJD-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