General Information of the Compound
| Compound ID |
CP0466058
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1800791
Show/Hide
|
||||||||||||||||||
| Formula |
C26H25N7O2
|
||||||||||||||||||
| Molecular Weight |
467.533
|
||||||||||||||||||
| Canonical SMILES |
CC1CN2C(=N1)c1[nH]c(nc1N(Cc1ccccc1)C2=O)-c1cc(OCc2ccccc2)nn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25N7O2/c1-17-14-32-24(27-17)22-25(33(26(32)34)15-18-9-5-3-6-10-18)29-23(28-22)20-13-21(30-31(20)2)35-16-19-11-7-4-8-12-19/h3-13,17H,14-16H2,1-2H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVCVCCQJIMUKOJ-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