General Information of the Compound
| Compound ID |
CP0963507
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-{2-[7-(1,3-benzoxazol-2-ylmethyl)-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl]ethyl}-4-cyanobenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N5O4S
|
||||||||||||||||||
| Molecular Weight |
467.551
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)NCCN2CC3CN(Cc4nc5ccccc5o4)CC(C2)O3)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N5O4S/c24-11-17-5-7-20(8-6-17)33(29,30)25-9-10-27-12-18-14-28(15-19(13-27)31-18)16-23-26-21-3-1-2-4-22(21)32-23/h1-8,18-19,25H,9-10,12-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWJWFBNYVTWXCN-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