General Information of the Compound
| Compound ID |
CP0433584
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-[3-[5-(diethylcarbamoyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]propyl-methylamino]propyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C49H63N7O4
|
||||||||||||||||||
| Molecular Weight |
814.088
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CCCN(C)CCCn2c(Cc3ccc(OCC)cc3)nc3cc(ccc23)C(=O)N(CC)CC)C(=O)N(CC)CC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C49H63N7O4/c1-8-53(9-2)48(57)38-20-26-44-42(34-38)50-46(32-36-16-22-40(23-17-36)59-12-5)55(44)30-14-28-52(7)29-15-31-56-45-27-21-39(49(58)54(10-3)11-4)35-43(45)51-47(56)33-37-18-24-41(25-19-37)60-13-6/h16-27,34-35H,8-15,28-33H2,1-7H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BAYIEZIVBJSDAA-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