General Information of the Compound
| Compound ID |
CP0438771
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-cyclobutyl-1,4-diazepan-1-yl)(5-(3-fluorophenoxy)pyridin-2-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24FN3O2
|
||||||||||||||||||
| Molecular Weight |
369.44
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24FN3O2/c22-16-4-1-7-18(14-16)27-19-8-9-20(23-15-19)21(26)25-11-3-10-24(12-13-25)17-5-2-6-17/h1,4,7-9,14-15,17H,2-3,5-6,10-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NHCZJSNZHJEPBN-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