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36417-16-0

36417-16-0 structural image
Product Name: dichloroallyl lawsone
Formula: C13H8Cl2O3
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COMPUTED DESCRIPTORS

Molecular Weight 283.10 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 281.9850495 g/mol
Monoisotopic Mass 281.9850495 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 447
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

Dichloroallyl Lawsone is a triazine derivative with antineoplastic activity. Dichloroallyl lawsone inhibits mitochondrial dihydroorotate dehydrogenase (DHOD), an enzyme that catalyzes the only redox step in de novo pyrimidine biosynthesis, and nucleotide (RNA and DNA) biosynthesis. (NCI04)