General Information of the Compound
| Compound ID |
CP0555080
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8962837, 33
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H13BrF2N4O
|
||||||||||||||||||
| Molecular Weight |
371.185
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(Br)c(OC2CCN(CC2)c2nccnn2)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H13BrF2N4O/c15-10-7-11(16)12(17)8-13(10)22-9-1-5-21(6-2-9)14-18-3-4-19-20-14/h3-4,7-9H,1-2,5-6H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXZCSTOZZDRLND-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