General Information of the Compound
| Compound ID |
CP0273971
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9388171, I-11
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
414.868
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(CNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)ccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20ClFN4O2/c22-16-3-1-13(9-17(16)23)11-25-21(28)18-4-2-14-12-24-20(10-19(14)27-18)26-15-5-7-29-8-6-15/h1-4,9-10,12,15H,5-8,11H2,(H,24,26)(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IBRKIEOOAVIRDE-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