General Information of the Compound
| Compound ID |
CP0553890
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9145419, 26
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H11FN4
|
||||||||||||||||||
| Molecular Weight |
290.301
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)-c1cnc2c(ccnn12)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H11FN4/c18-14-5-3-12(4-6-14)16-11-20-17-15(7-9-21-22(16)17)13-2-1-8-19-10-13/h1-11H
Show/Hide
|
||||||||||||||||||
| InChIKey |
IIXVLRGPFRCYFK-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