General Information of the Compound
| Compound ID |
CP0919413
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-{7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)butane-1-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H34N4O4S
|
||||||||||||||||||
| Molecular Weight |
450.605
|
||||||||||||||||||
| Canonical SMILES |
CCCCS(=O)(=O)NCCN1CC2CN(CCCOc3ccc(C#N)cc3)CC(C1)O2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H34N4O4S/c1-2-3-13-31(27,28)24-9-11-26-17-21-15-25(16-22(18-26)30-21)10-4-12-29-20-7-5-19(14-23)6-8-20/h5-8,21-22,24H,2-4,9-13,15-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KFWVYZRFXBKHPC-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