General Information of the Compound
| Compound ID |
CP0633376
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-exo-[6-(2-(4-Methanesulfonylaminopyridin-3-yl)phenoxy))]-3-azabicyclo[3.2.1]octane hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
409.939
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)Nc1ccncc1-c1ccccc1O[C@H]1C[C@@H]2CNC[C@H]1C2.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23N3O3S.ClH/c1-26(23,24)22-17-6-7-20-12-16(17)15-4-2-3-5-18(15)25-19-9-13-8-14(19)11-21-10-13;/h2-7,12-14,19,21H,8-11H2,1H3,(H,20,22);1H/t13-,14-,19+;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OLEBJWVZAVNUFP-PNESNBHTSA-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