General Information of the Compound
| Compound ID |
CP0546521
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8791272, 8.7
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F3N3O3
|
||||||||||||||||||
| Molecular Weight |
459.468
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)c3ccc(cc3C)C(F)(F)F)cc2)c(C)c1CCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F3N3O3/c1-14-12-18(24(25,26)27)6-9-20(14)23(33)28-19-7-4-17(5-8-19)13-30-16(3)21(15(2)29-30)10-11-22(31)32/h4-9,12H,10-11,13H2,1-3H3,(H,28,33)(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CJBIGAKTJZMBGW-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