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873436-91-0

873436-91-0 structural image
Product Name: 6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine
Formula: C18H21IN6O2S
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COMPUTED DESCRIPTORS

Molecular Weight 512.4 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 7
Exact Mass 512.04914 g/mol
Monoisotopic Mass 512.04914 g/mol
Topological Polar Surface Area 125 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 521
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

Zelavespib (PU-H71) has been used in trials studying the treatment of LYMPHOMA, Solid Tumors, Metastatic Solid Tumor, and Myeloproliferative Neoplasms (MPN).