General Information of the Compound
| Compound ID |
CP0488844
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9212171, 23
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19FN2O
|
||||||||||||||||||
| Molecular Weight |
322.383
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCCC(c2ccc(cn2)C#Cc2ccc(F)cc2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19FN2O/c1-23-13-3-2-4-18(20(23)24)19-12-9-16(14-22-19)6-5-15-7-10-17(21)11-8-15/h7-12,14,18H,2-4,13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRTOXUHDTQKLSX-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