General Information of the Compound
| Compound ID |
CP0502919
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5,6-dihydroxy-3-methyl-1-benzothiophene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H8O4S
|
||||||||||||||||||
| Molecular Weight |
224.237
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(sc2cc(O)c(O)cc12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H8O4S/c1-4-5-2-6(11)7(12)3-8(5)15-9(4)10(13)14/h2-3,11-12H,1H3,(H,13,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VLRACFLLFIANHE-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