General Information of the Compound
| Compound ID |
CP0310682
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R)-1-[3-[(2-amino-6-methylpyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethane-1,2-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H18N3O2S+
|
||||||||||||||||||
| Molecular Weight |
280.373
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(sc[n+]1Cc1ccc(C)nc1N)[C@H](O)CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H18N3O2S/c1-8-3-4-10(13(14)15-8)5-16-7-19-12(9(16)2)11(18)6-17/h3-4,7,11,17-18H,5-6H2,1-2H3,(H2,14,15)/q+1/t11-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZGBFGKDECNZQT-LLVKDONJSA-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