General Information of the Compound
| Compound ID |
CP0888369
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R,S)-4-Allyl-8-ethyl-7,8-dihydro-2-(1,5-dimethyl-1H-pyrazol-3-yl)-1Himidazo[2,1-i]purin-5(4H)-one
Show/Hide
|
||||||||||||||||||
| Formula |
C17H21N7O
|
||||||||||||||||||
| Molecular Weight |
339.403
|
||||||||||||||||||
| Canonical SMILES |
C=CCN1C(=O)N2CC(CC)N=C2c2[nH]c(-c3cc(C)n(C)n3)nc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21N7O/c1-5-7-23-16-13(15-18-11(6-2)9-24(15)17(23)25)19-14(20-16)12-8-10(3)22(4)21-12/h5,8,11H,1,6-7,9H2,2-4H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTGQLHAOPMIUBM-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
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3