General Information of the Compound
| Compound ID |
CP0533339
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6-(4-fluorophenoxy)pyridin-3-yl)(4-methyl-1,4-diazepan-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20FN3O2
|
||||||||||||||||||
| Molecular Weight |
329.375
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCN(CC1)C(=O)c1ccc(Oc2ccc(F)cc2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20FN3O2/c1-21-9-2-10-22(12-11-21)18(23)14-3-8-17(20-13-14)24-16-6-4-15(19)5-7-16/h3-8,13H,2,9-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXDNXVGNFJXACF-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