E339-3D6

Ligand id: 6187

Name: E339-3D6

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 24
Hydrogen bond donors 10
Rotatable bonds 46
Topological polar surface area 448.44
Molecular weight 1746.68
XLogP 10.29
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-{[(1-{[2-(1-benzyl-3-methyl-1H-imidazol-3-ium-4-yl)-1-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]ethyl]carbamoyl}-5-({[12-({4-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]-3-sulfobenzene}sulfonamido)dodecyl]carbamoyl}amino)pentyl)carbamoyl]methyl}-2-imino-3-methyl-2,3-dihydro-1,3-thiazol-3-ium tritrifluoroacetate
Database Links
PubChem CID 73755182
Search Google for chemical match using the InChIKey SEZVZMIKECAWEG-UHFFFAOYSA-O
Search Google for chemicals with the same backbone SEZVZMIKECAWEG
Search UniChem for chemical match using the InChIKey SEZVZMIKECAWEG-UHFFFAOYSA-O
Search UniChem for chemicals with the same backbone SEZVZMIKECAWEG