General Information of the Compound
| Compound ID |
CP0322061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9163021, 21
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19F3N6O2
|
||||||||||||||||||
| Molecular Weight |
456.428
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C(F)(F)F)c2)c2cnccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19F3N6O2/c1-13(2)31-11-17(16-10-26-5-3-18(16)31)21(33)14-7-15(9-27-8-14)28-20(32)12-30-6-4-19(29-30)22(23,24)25/h3-11,13H,12H2,1-2H3,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXPRNEDRKPNLKW-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