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1202777-78-3

1202777-78-3 structural image
Product Name: BKM-120
Formula: C18H21F3N6O2
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COMPUTED DESCRIPTORS

Molecular Weight 410.4 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 3
Exact Mass 410.16780842 g/mol
Monoisotopic Mass 410.16780842 g/mol
Topological Polar Surface Area 89.6 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 530
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

BKM120 is an aminopyridine that is 4-(trifluoromethyl)pyridin-2-amine substituted at position 5 by a 2,6-di(morpholin-4-yl)pyrimidin-4-y group. A selective PI3K inhibitor with anti-tumour properties. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and an antineoplastic agent. It is a member of morpholines, an aminopyrimidine, an aminopyridine and an organofluorine compound.