General Information of the Compound
| Compound ID |
CP0377194
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-fluoro-N-(7-(N-(2-hydroxyethyl)acetamido)-4-methoxybenzo[d]thiazol-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18FN3O4S
|
||||||||||||||||||
| Molecular Weight |
403.435
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(N(CCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18FN3O4S/c1-11(25)23(9-10-24)14-7-8-15(27-2)16-17(14)28-19(21-16)22-18(26)12-3-5-13(20)6-4-12/h3-8,24H,9-10H2,1-2H3,(H,21,22,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PPUQSIDWHRUZSE-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