General Information of the Compound
| Compound ID |
CP0373269
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-(2,4-Dimethylphenyl)-1-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N4O
|
||||||||||||||||||
| Molecular Weight |
336.439
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(C)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N4O/c1-14-9-10-18(15(2)11-14)20-21-19(13-23(3)4)22-24(20)16-7-6-8-17(12-16)25-5/h6-12H,13H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMRBVDPYQZDZDR-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: PT01791, Delta-type opioid receptor
Protein ID: PT01460, Kappa-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor