General Information of the Compound
| Compound ID |
CP0440605
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-3-(2-nitro-1-phenylethyl)-2-phenylindole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20N2O2
|
||||||||||||||||||
| Molecular Weight |
356.425
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(c(C(C[N+]([O-])=O)c2ccccc2)c2ccccc12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20N2O2/c1-24-21-15-9-8-14-19(21)22(23(24)18-12-6-3-7-13-18)20(16-25(26)27)17-10-4-2-5-11-17/h2-15,20H,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OFTOXEBAWTUTNR-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: PT01715, Cannabinoid receptor 1
Protein ID: PT01298, Cannabinoid receptor 1