General Information of the Compound
| Compound ID |
CP0491938
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9303045, 72
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21F2N3O2
|
||||||||||||||||||
| Molecular Weight |
349.381
|
||||||||||||||||||
| Canonical SMILES |
CN1C2CCC1CC(C2)OC(=O)c1cn(CC(F)F)c2ncccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21F2N3O2/c1-22-11-4-5-12(22)8-13(7-11)25-18(24)15-9-23(10-16(19)20)17-14(15)3-2-6-21-17/h2-3,6,9,11-13,16H,4-5,7-8,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LRPCNAIWLLZZDO-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