asandeutertinib   Click here for help

GtoPdb Ligand ID: 13201

Synonyms: Embodiment 3A [US10414756]
Compound class: Synthetic organic
Comment: Asandeutertinib is the INN for an epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor with antineoplastic potential. It is one of the structures (3A) claimed in Nanjing Diansu Biological Technology's patent US10414756B2 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 84.8
Molecular weight 499.61
XLogP 1.89
No. Lipinski's rules broken 0
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Canonical SMILES C=CC(=O)NC1=C(C=C(C(=C1)NC2=NC=CC(=N2)C3=CN(C([2H])([2H])[2H])C4=C3C=CC=C4)OC)N(C)CCN(C)C
Isomeric SMILES [2H]C([2H])([2H])N1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC
InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)/i5D3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
12936 asandeutertinib
Synonyms Click here for help
Embodiment 3A [US10414756]
Database Links Click here for help
GtoPdb PubChem SID 491299983
PubChem CID 87056175
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