General Information of the Compound
| Compound ID |
CP0444388
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(2-hydroxy-3-(piperidin-1-yl)propoxy)-5-methylphenyl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H25NO3
|
||||||||||||||||||
| Molecular Weight |
291.391
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1cc(C)ccc1OCC(O)CN1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H25NO3/c1-13-6-7-17(16(10-13)14(2)19)21-12-15(20)11-18-8-4-3-5-9-18/h6-7,10,15,20H,3-5,8-9,11-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWIVBLTUXMTZPN-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