General Information of the Compound
| Compound ID |
CP0423261
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-adamantyl)-1-pentylpyrrolo[2,3-b]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31N3O
|
||||||||||||||||||
| Molecular Weight |
365.521
|
||||||||||||||||||
| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31N3O/c1-2-3-4-8-26-15-20(19-6-5-7-24-21(19)26)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h5-7,15-18H,2-4,8-14H2,1H3,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VUQBCVVSFNJLBC-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2