General Information of the Compound
| Compound ID |
CP0373355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-3-thiophen-3-yl-5H-furan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14O5S2
|
||||||||||||||||||
| Molecular Weight |
350.417
|
||||||||||||||||||
| Canonical SMILES |
CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccsc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14O5S2/c1-16(18)14(10-3-5-12(6-4-10)23(2,19)20)13(15(17)21-16)11-7-8-22-9-11/h3-9,18H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IJCAHTOZDZAWMG-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