General Information of the Compound
| Compound ID |
CP0526139
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9278960, 4-70
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22F3N5O
|
||||||||||||||||||
| Molecular Weight |
417.435
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(cn1)-c1cc(nc2cc(CN3CCC(CC3)C(F)(F)F)ccc12)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22F3N5O/c1-28-12-14(10-26-28)17-9-19(20(25)30)27-18-8-13(2-3-16(17)18)11-29-6-4-15(5-7-29)21(22,23)24/h2-3,8-10,12,15H,4-7,11H2,1H3,(H2,25,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZDSEFUNSQKPKU-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