General Information of the Compound
| Compound ID |
CP0422932
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C19H20N6O2
|
||||||||||||||||||
| Molecular Weight |
364.409
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCn3c2c(=O)n(C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N6O2/c1-22-16-15(17(26)23(2)19(22)27)25-10-9-24(18(25)21-16)8-7-12-11-20-14-6-4-3-5-13(12)14/h3-6,11,20H,7-10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATZZJVXUQAQOAR-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: PT05453, G-protein coupled receptor 55
Protein ID: PT06110, N-arachidonyl glycine receptor