General Information of the Compound
| Compound ID |
CP0857113
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2-amino-1-(4-methoxyphenyl)-1H-imidazol-5-yl)(4-methyl-2-(phenylamino)thiazol-5-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19N5O2S
|
||||||||||||||||||
| Molecular Weight |
405.483
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(-n2c(C(=O)c3sc(Nc4ccccc4)nc3C)cnc2N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19N5O2S/c1-13-19(29-21(24-13)25-14-6-4-3-5-7-14)18(27)17-12-23-20(22)26(17)15-8-10-16(28-2)11-9-15/h3-12H,1-2H3,(H2,22,23)(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XIJBZUAPZQCRSL-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