General Information of the Compound
| Compound ID |
CP0511960
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266880, 1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H13FN4
|
||||||||||||||||||
| Molecular Weight |
340.361
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2c(ccnc12)-c1cncc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H13FN4/c22-15-5-7-16(8-6-15)26-21-20(13-25-26)18(9-10-24-21)19-12-23-11-14-3-1-2-4-17(14)19/h1-13H
Show/Hide
|
||||||||||||||||||
| InChIKey |
JUUVZGQMKDDVGB-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