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119813-10-4

119813-10-4 structural image
Product Name: Carzelesin
Formula: C41H37ClN6O5
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COMPUTED DESCRIPTORS

Molecular Weight 729.2 g/mol
XLogP3 7.9
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 10
Exact Mass 728.2513960 g/mol
Monoisotopic Mass 728.2513960 g/mol
Topological Polar Surface Area 136 Ų
Heavy Atom Count 53
Formal Charge 0
Complexity 1320
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

Carzelesin is a cyclopropylpyrroloindole prodrug analogue and DNA minor groove binding agent, with antineoplastic activity. After hydrolysis, the cyclopropyl group of carzelesin alkylates N3-adenine in a sequence-selective fashion. This results in tumor growth inhibition.