General Information of the Compound
| Compound ID |
CP0547773
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-tert-butyl-4-(4-oxidopyrazin-4-ium-2-yl)-11-oxa-4,5-diazatricyclo[6.2.1.02,6]undeca-2,5-diene-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C17H21N5O3
|
||||||||||||||||||
| Molecular Weight |
343.387
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)NC(=O)c1c2C3CCC(Cc2nn1-c1c[n+]([O-])ccn1)O3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21N5O3/c1-17(2,3)19-16(23)15-14-11(8-10-4-5-12(14)25-10)20-22(15)13-9-21(24)7-6-18-13/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,19,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NNGPHOXMEIKZPP-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 | |||||||||||||||||||
| 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