General Information of the Compound
| Compound ID |
CP0452036
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-(3-Piperidin-1-yl-propoxy)-isoxazol-5-ylmethyl]-morpholine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H27N3O3
|
||||||||||||||||||
| Molecular Weight |
309.41
|
||||||||||||||||||
| Canonical SMILES |
C(COc1cc(CN2CCOCC2)on1)CN1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H27N3O3/c1-2-5-18(6-3-1)7-4-10-21-16-13-15(22-17-16)14-19-8-11-20-12-9-19/h13H,1-12,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ADLWZDMYNOGVRT-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