General Information of the Compound
| Compound ID |
CP0433888
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3S)-6-[[3-[2,6-dimethyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32O6
|
||||||||||||||||||
| Molecular Weight |
488.58
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32O6/c1-19-9-25(36-18-30(3)16-33-17-30)10-20(2)29(19)22-6-4-5-21(11-22)14-34-24-7-8-26-23(12-28(31)32)15-35-27(26)13-24/h4-11,13,23H,12,14-18H2,1-3H3,(H,31,32)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSXFQAMRYNFRDD-HSZRJFAPSA-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