General Information of the Compound
| Compound ID |
CP0450402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-(4-methylsulfonylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H18N2O4S2
|
||||||||||||||||||
| Molecular Weight |
462.552
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H18N2O4S2/c1-32(29,30)19-14-12-17(13-15-19)21(27)22-20(16-8-4-2-5-9-16)25-24(31-22)26-23(28)18-10-6-3-7-11-18/h2-15H,1H3,(H,25,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JIEWCPLESIGUCY-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3