General Information of the Compound
Compound ID |
CP0399891
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
US9303045, 73
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C20H24F2N2O2
|
||||||||||||||||||
Molecular Weight |
362.42
|
||||||||||||||||||
Canonical SMILES |
CN1C2CCC1CC(C2)OC(=O)c1c(C)n(CC(F)F)c2ccccc12
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C20H24F2N2O2/c1-12-19(16-5-3-4-6-17(16)24(12)11-18(21)22)20(25)26-15-9-13-7-8-14(10-15)23(13)2/h3-6,13-15,18H,7-11H2,1-2H3
Show/Hide
|
||||||||||||||||||
InChIKey |
CEFJSFMTNLOCON-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