General Information of the Compound
| Compound ID |
CP0486856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9688642, 10
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H31FN2O4
|
||||||||||||||||||
| Molecular Weight |
526.608
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1-c1cc(C)cc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H31FN2O4/c1-19-11-20(2)13-23(12-19)31-32(28-15-25(38-3)9-10-29(28)33)34-17-24(35-31)18-39-26-6-4-5-22(14-26)27(16-30(36)37)21-7-8-21/h4-6,9-15,17,21,27H,7-8,16,18H2,1-3H3,(H,36,37)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UULGQLZCNJQSHT-MHZLTWQESA-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