COMPUTED DESCRIPTORS
| Molecular Weight | 441.5 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 441.08169844 g/mol |
| Monoisotopic Mass | 441.08169844 g/mol |
| Topological Polar Surface Area | 137 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 651 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
ML355 is a sulfonamide resulting from the formal condensation of the amino group of 2-aminobenzothiazole with the sulfo group of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonic acid. It is an inhibitor of 12-lipoxygenase, being developed by Veralox Therapeutics for the treatment of heparin-induced thrombocytopenia and thrombosis. It has a role as an EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor and a platelet aggregation inhibitor. It is a member of benzothiazoles, a sulfonamide, a monomethoxybenzene, a member of phenols, a secondary amino compound and a substituted aniline. It is functionally related to a 2-aminobenzothiazole.