General Information of the Compound
| Compound ID |
CP0491438
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9688642, 46
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33FN2O4
|
||||||||||||||||||
| Molecular Weight |
516.613
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(F)c(c1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1C1=CCCC1(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33FN2O4/c1-31(2)13-5-8-26(31)30-29(25-15-22(37-3)11-12-27(25)32)33-17-21(34-30)18-38-23-7-4-6-20(14-23)24(16-28(35)36)19-9-10-19/h4,6-8,11-12,14-15,17,19,24H,5,9-10,13,16,18H2,1-3H3,(H,35,36)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RPNNZNQBXGKPGZ-DEOSSOPVSA-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