General Information of the Compound
| Compound ID |
CP0563972
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012651, 199
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H27FN2O
|
||||||||||||||||||
| Molecular Weight |
306.425
|
||||||||||||||||||
| Canonical SMILES |
CC(CCO)CNCc1nc(ccc1F)C1CC2CCC1C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H27FN2O/c1-12(6-7-22)10-20-11-18-16(19)4-5-17(21-18)15-9-13-2-3-14(15)8-13/h4-5,12-15,20,22H,2-3,6-11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANWJOMJECSKYSJ-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