General Information of the Compound
| Compound ID |
CP0477796
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30O7S
|
||||||||||||||||||
| Molecular Weight |
510.608
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@@H](COc3c2)C(O)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30O7S/c1-18-12-23(33-10-5-11-36(3,31)32)13-19(2)27(18)21-7-4-6-20(14-21)16-34-22-8-9-24-25(28(29)30)17-35-26(24)15-22/h4,6-9,12-15,25H,5,10-11,16-17H2,1-3H3,(H,29,30)/t25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPJGXHXKGHJGIY-RUZDIDTESA-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