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928326-83-4

928326-83-4 structural image
Product Name: BIBF-1120
Formula: C31H33N5O4
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CHEMICAL AND PHYSICAL PROPERTIES

Melting Point 305C
Solubility >20mg/mL
LogP 3

COMPUTED DESCRIPTORS

Molecular Weight 539.6 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 8
Exact Mass 539.25325455 g/mol
Monoisotopic Mass 539.25325455 g/mol
Topological Polar Surface Area 102 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 892
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

Nintedanib is a member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor, a vascular endothelial growth factor receptor antagonist, a fibroblast growth factor receptor antagonist and an angiogenesis inhibitor. It is an aromatic ester, a methyl ester, a member of oxindoles, an enamine, an aromatic amine, an aromatic amide and a N-alkylpiperazine. It is a conjugate base of a nintedanib(1+).