General Information of the Compound
| Compound ID |
CP0548172
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,8-dioxo-6-thiophen-2-ylpyrano[2,3-f]chromene-3,9-dicarboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H8O8S
|
||||||||||||||||||
| Molecular Weight |
384.321
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc2cc(-c3cccs3)c3oc(=O)c(cc3c2oc1=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H8O8S/c19-15(20)10-5-7-4-8(12-2-1-3-27-12)14-9(13(7)25-17(10)23)6-11(16(21)22)18(24)26-14/h1-6H,(H,19,20)(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGKUZJVVULIQQP-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