General Information of the Compound
| Compound ID |
CP0375539
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-4-(3,4-dichlorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)but-3-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H12Cl2N2O2S
|
||||||||||||||||||
| Molecular Weight |
391.279
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(\C=C\CC(=O)Nc2nc3ccccc3c(=O)s2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H12Cl2N2O2S/c19-13-9-8-11(10-14(13)20)4-3-7-16(23)22-18-21-15-6-2-1-5-12(15)17(24)25-18/h1-6,8-10H,7H2,(H,21,22,23)/b4-3+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKUGUZINKMZKQP-ONEGZZNKSA-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