General Information of the Compound
| Compound ID |
CP0528964
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-1-((1,1-Dimethyl-2-[4-(methyloxy)phenyl]ethyl)amino)-3-[(1-methylethyl)oxy]-2-propanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H29NO3
|
||||||||||||||||||
| Molecular Weight |
295.423
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CC(C)(C)NCC(O)COC(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H29NO3/c1-13(2)21-12-15(19)11-18-17(3,4)10-14-6-8-16(20-5)9-7-14/h6-9,13,15,18-19H,10-12H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQHWODXZRMZGFX-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