General Information of the Compound
| Compound ID |
CP0521358
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-cyclopropyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21FN4O2
|
||||||||||||||||||
| Molecular Weight |
416.456
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CNC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21FN4O2/c25-18-8-6-16(7-9-18)12-26-21(30)14-28-13-20(17-4-2-1-3-5-17)22-23(28)24(31)29(15-27-22)19-10-11-19/h1-9,13,15,19H,10-12,14H2,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTZBBWUBSYPHTL-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