General Information of the Compound
| Compound ID |
CP0482476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methyl-1-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperidine;oxalic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H41NO5
|
||||||||||||||||||
| Molecular Weight |
435.605
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C(O)=O.CCC(C)(C)c1ccc(OCCCCCCN2CCCC(C)C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H39NO.C2H2O4/c1-5-23(3,4)21-12-14-22(15-13-21)25-18-9-7-6-8-16-24-17-10-11-20(2)19-24;3-1(4)2(5)6/h12-15,20H,5-11,16-19H2,1-4H3;(H,3,4)(H,5,6)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGYFHLXORWVKQY-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