General Information of the Compound
| Compound ID |
CP0489701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9278960, 3-29
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H15FN4O
|
||||||||||||||||||
| Molecular Weight |
346.365
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3)cc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H15FN4O/c21-15-4-2-14(3-5-15)17-10-19(20(22)26)24-18-9-13(1-6-16(17)18)11-25-8-7-23-12-25/h1-10,12H,11H2,(H2,22,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NQDDUQJHRCBRRA-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