General Information of the Compound
| Compound ID |
CP0963512
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-{7-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)-4-methoxybenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30N4O5S
|
||||||||||||||||||
| Molecular Weight |
486.594
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(S(=O)(=O)NCCN2CC3CN(CCOc4ccc(C#N)cc4)CC(C2)O3)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N4O5S/c1-31-20-6-8-24(9-7-20)34(29,30)26-10-11-27-15-22-17-28(18-23(16-27)33-22)12-13-32-21-4-2-19(14-25)3-5-21/h2-9,22-23,26H,10-13,15-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HVJJFLMEITXIBQ-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