General Information of the Compound
| Compound ID |
CP0448323
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Methylsulfanyl-6,7-dihydro-benzo[c]thiophene-1-carboxylic acid hydrazide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H12N2OS2
|
||||||||||||||||||
| Molecular Weight |
240.353
|
||||||||||||||||||
| Canonical SMILES |
CSc1sc(C(=O)NN)c2CCC=Cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H12N2OS2/c1-14-10-7-5-3-2-4-6(7)8(15-10)9(13)12-11/h3,5H,2,4,11H2,1H3,(H,12,13)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKZGSVSZMWRNFW-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: PT01279, Adenosine receptor A3
Protein ID: PT01827, Adenosine receptor A3