General Information of the Compound
| Compound ID |
CP0529275
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9278960, 7-13
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H16F2N2O4
|
||||||||||||||||||
| Molecular Weight |
410.376
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)c(F)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H16F2N2O4/c1-30-22(29)17-10-16(12-2-5-14(23)6-3-12)15-7-4-13(20(24)21(15)25-17)11-26-18(27)8-9-19(26)28/h2-7,10H,8-9,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PEGWTPOZAXAEQW-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