General Information of the Compound
| Compound ID |
CP0942353
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-{7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)-3-fluorobenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26F2N4O4S
|
||||||||||||||||||
| Molecular Weight |
492.548
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc(OCCN2CC3CN(CCNS(=O)(=O)c4cccc(F)c4)CC(C2)O3)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26F2N4O4S/c24-18-2-1-3-21(11-18)34(30,31)27-6-7-28-13-19-15-29(16-20(14-28)33-19)8-9-32-23-5-4-17(12-26)10-22(23)25/h1-5,10-11,19-20,27H,6-9,13-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWZKRDAVVYGHAT-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