General Information of the Compound
| Compound ID |
CP0550846
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4,8-dimethyl-7-(3-methylphenyl)sulfonyloxy-2-oxochromen-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18O7S
|
||||||||||||||||||
| Molecular Weight |
402.424
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(c1)S(=O)(=O)Oc1ccc2c(C)c(CC(O)=O)c(=O)oc2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18O7S/c1-11-5-4-6-14(9-11)28(24,25)27-17-8-7-15-12(2)16(10-18(21)22)20(23)26-19(15)13(17)3/h4-9H,10H2,1-3H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKGYRUCCQMQFCE-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