General Information of the Compound
| Compound ID |
CP0493230
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012651, 233
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22F2N2O
|
||||||||||||||||||
| Molecular Weight |
332.394
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(\C=C\c2cccc(F)c2)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22F2N2O/c1-13(2)19(12-24)22-11-18-17(21)9-8-16(23-18)7-6-14-4-3-5-15(20)10-14/h3-10,13,19,22,24H,11-12H2,1-2H3/b7-6+/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PIGXFCTWFLKDCK-GHOSXJJBSA-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