General Information of the Compound
| Compound ID |
CP0344588
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[(6-aminopyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H16N3OS+
|
||||||||||||||||||
| Molecular Weight |
250.347
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(CCO)sc[n+]1Cc1ccc(N)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H16N3OS/c1-9-11(4-5-16)17-8-15(9)7-10-2-3-12(13)14-6-10/h2-3,6,8,16H,4-5,7H2,1H3,(H2,13,14)/q+1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CGNJGZNRJWCBRZ-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