General Information of the Compound
| Compound ID |
CP0461989
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3S)-6-[[3-[4-(1,1-dioxothian-4-yl)oxy-2,3,5,6-tetramethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36O7S
|
||||||||||||||||||
| Molecular Weight |
564.7
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C)c(c(C)c(C)c1OC1CCS(=O)(=O)CC1)-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36O7S/c1-19-21(3)32(39-26-10-12-40(35,36)13-11-26)22(4)20(2)31(19)24-7-5-6-23(14-24)17-37-27-8-9-28-25(15-30(33)34)18-38-29(28)16-27/h5-9,14,16,25-26H,10-13,15,17-18H2,1-4H3,(H,33,34)/t25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONABFDNVYQPVIJ-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
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT02522, Free fatty acid receptor 1