General Information of the Compound
| Compound ID |
CP0488357
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1,1-dimethylpiperidin-1-ium-4-yl) 2-(dipropylamino)-2-phenylpropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H37N2O2+
|
||||||||||||||||||
| Molecular Weight |
361.55
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCC)C(C)(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H37N2O2/c1-6-15-23(16-7-2)22(3,19-11-9-8-10-12-19)21(25)26-20-13-17-24(4,5)18-14-20/h8-12,20H,6-7,13-18H2,1-5H3/q+1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PHYCQDDAIMNIIQ-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