General Information of the Compound
| Compound ID |
CP0512335
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9278960, 6-5
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H16FN3O
|
||||||||||||||||||
| Molecular Weight |
357.388
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cccnc3)cc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H16FN3O/c23-17-6-4-16(5-7-17)19-12-21(22(24)27)26-20-11-14(3-8-18(19)20)10-15-2-1-9-25-13-15/h1-9,11-13H,10H2,(H2,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRGRWIMAJDQCPG-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