General Information of the Compound
| Compound ID |
CP0543799
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8575364, 44
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20FNO
|
||||||||||||||||||
| Molecular Weight |
285.362
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1C1CCNC1)-c1cccc(F)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20FNO/c1-12-15(4-3-5-17(12)19)13-6-7-18(21-2)16(10-13)14-8-9-20-11-14/h3-7,10,14,20H,8-9,11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPEYJFXLUURSDS-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