General Information of the Compound
| Compound ID |
CP0526548
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 22
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21F3N4O3
|
||||||||||||||||||
| Molecular Weight |
482.462
|
||||||||||||||||||
| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21F3N4O3/c1-14-7-3-6-10-19(14)31-24(34)17-11-15(12-20-22(17)32-21(30-20)13-35-2)29-23(33)16-8-4-5-9-18(16)25(26,27)28/h3-12H,13H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVBABRNVYMEUKE-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