Dichloroallyllawsone
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Dichloroallyllawsone
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CAS No:
36417-16-0
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Formula:
C13H8Cl2O3
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Chemical Name:
Dichloroallyllawsone
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Synonyms:
1,4-Naphthalenedione,2-(3,3-dichloro-2-propen-1-yl)-3-hydroxy-;1,4-Naphthalenedione,2-(3,3-dichloro-2-propenyl)-3-hydroxy-;2-(3,3-Dichloro-2-propen-1-yl)-3-hydroxy-1,4-naphthalenedione;NSC 126771;Dichloroallyllawsone;Dichloroallyllawson;NSC 136592;2-(3,3-Dichloroallyl)-3-hydroxynaphthalene-1,4-dione;53175-71-6
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CAS No:
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)
Computed Properties
Molecular Weight:283.10
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:281.9850495
Monoisotopic Mass:281.9850495
Topological Polar Surface Area:54.4
Heavy Atom Count:18
Complexity:447
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes