General Information of the Compound
| Compound ID |
CP0161047
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((6-(2-(5-methyl-2-(4-(trifluoromethyl)phenyl)oxazol-4-yl)ethoxy)pyridin-3-yl)methyl)-tetrahydrofuran-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23F3N2O5
|
||||||||||||||||||
| Molecular Weight |
476.451
|
||||||||||||||||||
| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)cn1)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23F3N2O5/c1-15-19(29-21(34-15)17-4-6-18(7-5-17)24(25,26)27)9-12-32-20-8-3-16(14-28-20)13-23(22(30)31)10-2-11-33-23/h3-8,14H,2,9-13H2,1H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSQZDRAPEIFHNV-UHFFFAOYSA-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