General Information of the Compound
| Compound ID |
CP0433891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3S)-6-[[3-[3-chloro-2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31ClO7S
|
||||||||||||||||||
| Molecular Weight |
559.08
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31ClO7S/c1-18-12-26(35-10-5-11-38(3,33)34)29(30)19(2)28(18)21-7-4-6-20(13-21)16-36-23-8-9-24-22(14-27(31)32)17-37-25(24)15-23/h4,6-9,12-13,15,22H,5,10-11,14,16-17H2,1-3H3,(H,31,32)/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SMQHICHIKHDWQK-JOCHJYFZSA-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
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT02522, Free fatty acid receptor 1