General Information of the Compound
| Compound ID |
CP0547296
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]sulfonylacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30O8S2
|
||||||||||||||||||
| Molecular Weight |
546.663
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30O8S2/c1-19-14-24(34-12-5-13-36(3,30)31)15-20(2)27(19)22-7-4-6-21(16-22)17-35-23-8-10-25(11-9-23)37(32,33)18-26(28)29/h4,6-11,14-16H,5,12-13,17-18H2,1-3H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RJMAQOYZHGYZOZ-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