General Information of the Compound
| Compound ID |
CP0522817
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(cyclopropylamino)-9-(3-fluorophenyl)-7-(2-methoxybenzyl)-7H-purin-8(9H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20FN5O2
|
||||||||||||||||||
| Molecular Weight |
405.433
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(F)c2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20FN5O2/c1-30-19-8-3-2-5-14(19)13-27-18-12-24-21(25-16-9-10-16)26-20(18)28(22(27)29)17-7-4-6-15(23)11-17/h2-8,11-12,16H,9-10,13H2,1H3,(H,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKENJSZXIDEZOZ-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a