General Information of the Compound
| Compound ID |
CP0565679
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9199981, F72
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16F3N5O2
|
||||||||||||||||||
| Molecular Weight |
427.386
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2cc(F)ccn12)-c1noc(n1)C1CC(F)(F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16F3N5O2/c1-11-2-3-12(18-27-20(31-28-18)13-8-21(23,24)9-13)6-15(11)26-19(30)16-10-25-17-7-14(22)4-5-29(16)17/h2-7,10,13H,8-9H2,1H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WZGYVSALYZWXML-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