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1349796-36-6

1349796-36-6 structural image
Product Name: XL765
Formula: C31H29N5O6S
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COMPUTED DESCRIPTORS

Molecular Weight 599.7 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 10
Exact Mass 599.18385484 g/mol
Monoisotopic Mass 599.18385484 g/mol
Topological Polar Surface Area 149 Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 993
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

XL765 is a sulfonamide obtained by formal condensation of the sulfonic acid group of 4-[(3-methoxy-4-methylbenzoyl)amino]benzenesulfonic acid with the primary aromatic amino group of N-(3,5-dimethoxyphenyl)quinoxaline-2,3-diamine. A dual PI3K/mTOR inhibitor used in cancer treatment. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor, an antineoplastic agent and a mTOR inhibitor. It is a sulfonamide, a quinoxaline derivative, an aromatic amine, a member of benzamides and an aromatic ether.