General Information of the Compound
| Compound ID |
CP0545127
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9278960, 4-69
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21F2N5O
|
||||||||||||||||||
| Molecular Weight |
385.418
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(cn1)-c1cc(nc2cc(CN3CCC(F)(F)CC3)ccc12)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21F2N5O/c1-26-12-14(10-24-26)16-9-18(19(23)28)25-17-8-13(2-3-15(16)17)11-27-6-4-20(21,22)5-7-27/h2-3,8-10,12H,4-7,11H2,1H3,(H2,23,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IIZLLNQHLCCDAL-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