General Information of the Compound
| Compound ID |
CP0518040
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1-decylpyrrolidin-3-yl)phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H33NO
|
||||||||||||||||||
| Molecular Weight |
303.49
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCN1CCC(C1)c1cccc(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-14-21-15-13-19(17-21)18-11-10-12-20(22)16-18/h10-12,16,19,22H,2-9,13-15,17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FBOQGLSPTCBDLZ-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor