General Information of the Compound
| Compound ID |
CP0848865
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,2,3,4-tetrahydro-1-isoquinolinylmethyl)-4-(trifluoromethoxy)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17F3N2O2
|
||||||||||||||||||
| Molecular Weight |
350.34
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCC1NCCc2ccccc21)c1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17F3N2O2/c19-18(20,21)25-14-7-5-13(6-8-14)17(24)23-11-16-15-4-2-1-3-12(15)9-10-22-16/h1-8,16,22H,9-11H2,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLRDNRZTNLTOFD-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor