General Information of the Compound
| Compound ID |
CP0900160
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2-amino-1-(4-fluorophenyl)-1H-imidazol-5-yl)(4-phenyl-2-(phenylamino)thiazol-5-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H18FN5OS
|
||||||||||||||||||
| Molecular Weight |
455.518
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncc(C(=O)c2sc(Nc3ccccc3)nc2-c2ccccc2)n1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H18FN5OS/c26-17-11-13-19(14-12-17)31-20(15-28-24(31)27)22(32)23-21(16-7-3-1-4-8-16)30-25(33-23)29-18-9-5-2-6-10-18/h1-15H,(H2,27,28)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BOLACKNRYYYLLE-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