General Information of the Compound
| Compound ID |
CP0267982
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-[(2-chloropyridin-3-yl)-phenylmethoxy]azetidin-1-yl]-piperidin-1-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24ClN3O2
|
||||||||||||||||||
| Molecular Weight |
385.895
|
||||||||||||||||||
| Canonical SMILES |
Clc1ncccc1C(OC1CN(C1)C(=O)N1CCCCC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24ClN3O2/c22-20-18(10-7-11-23-20)19(16-8-3-1-4-9-16)27-17-14-25(15-17)21(26)24-12-5-2-6-13-24/h1,3-4,7-11,17,19H,2,5-6,12-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBKPVQPSTHTVBI-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