compound 5e [PMID: 28580438]   Click here for help

GtoPdb Ligand ID: 9712

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Compound 5e is a potent FMS-like tyrosine kinase 3 (FLT3, a type III receptor tyrosine kinase) inhibitor that is in preclinical evaluation for the treatment of acute myelogenous leukemia (AML) [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 62.73
Molecular weight 305.16
XLogP 3.61
No. Lipinski's rules broken 0
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Canonical SMILES CC(Nc1ccnc(n1)Nc1cccc(c1)c1cccnc1)C
Isomeric SMILES CC(Nc1ccnc(n1)Nc1cccc(c1)c1cccnc1)C
InChI InChI=1S/C18H19N5/c1-13(2)21-17-8-10-20-18(23-17)22-16-7-3-5-14(11-16)15-6-4-9-19-12-15/h3-13H,1-2H3,(H2,20,21,22,23)
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Molecular structure representations generated using Open Babel