General Information of the Compound
| Compound ID |
CP0550110
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8791272, 13.12
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27F3N2O4
|
||||||||||||||||||
| Molecular Weight |
476.495
|
||||||||||||||||||
| Canonical SMILES |
CCc1nn(Cc2ccc(OCc3ccc(OC)c(c3)C(F)(F)F)cc2)c(CC)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27F3N2O4/c1-4-21-19(13-24(31)32)22(5-2)30(29-21)14-16-6-9-18(10-7-16)34-15-17-8-11-23(33-3)20(12-17)25(26,27)28/h6-12H,4-5,13-15H2,1-3H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYTQASSDNZEALK-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