General Information of the Compound
| Compound ID |
CP0516750
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9199981, F134
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14F3N5O2
|
||||||||||||||||||
| Molecular Weight |
413.359
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)C1CC(F)(F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14F3N5O2/c21-13-5-4-11(17-26-19(30-27-17)12-8-20(22,23)9-12)7-14(13)25-18(29)15-10-24-16-3-1-2-6-28(15)16/h1-7,10,12H,8-9H2,(H,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCXUYGGKVTVWJA-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