General Information of the Compound
| Compound ID |
CP0395175
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,2-dimethylpropyl)-1-ethyl-4-phenylbenzimidazole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N3O
|
||||||||||||||||||
| Molecular Weight |
335.451
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N3O/c1-5-24-17-13-9-12-16(15-10-7-6-8-11-15)18(17)23-19(24)20(25)22-14-21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWPZSGIMVXVXID-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