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446022-33-9

446022-33-9 structural image
Product Name: N-((5-(2-((6S)-2-Amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)ethyl)-4-methyl-2-thienyl)carbonyl)-L-glutamic acid
Formula: C20H25N5O6S
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COMPUTED DESCRIPTORS

Molecular Weight 463.5 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 9
Exact Mass 463.15255471 g/mol
Monoisotopic Mass 463.15255471 g/mol
Topological Polar Surface Area 211 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 859
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Pelitrexol has been used in trials studying the treatment of Unspecified Adult Solid Tumor, Protocol Specific.