General Information of the Compound
| Compound ID |
CP0550109
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8791272, 12.1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19F3N2O2
|
||||||||||||||||||
| Molecular Weight |
412.411
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(Cc2ccc(cc2)C#Cc2ccc(cc2)C(F)(F)F)c(C)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19F3N2O2/c1-15-21(13-22(29)30)16(2)28(27-15)14-19-7-5-17(6-8-19)3-4-18-9-11-20(12-10-18)23(24,25)26/h5-12H,13-14H2,1-2H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FLMRYOWZSXTBNQ-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