General Information of the Compound
| Compound ID |
CP0921072
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-{7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)-1-phenylmethanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N4O4S
|
||||||||||||||||||
| Molecular Weight |
484.622
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc(OCCCN2CC3CN(CCNS(=O)(=O)Cc4ccccc4)CC(C2)O3)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N4O4S/c26-15-21-7-9-23(10-8-21)32-14-4-12-28-16-24-18-29(19-25(17-28)33-24)13-11-27-34(30,31)20-22-5-2-1-3-6-22/h1-3,5-10,24-25,27H,4,11-14,16-20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNUFLAXTXJTMDL-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