AZD1208   Click here for help

GtoPdb Ligand ID: 7698

Synonyms: AZD 1208 | AZD-1208
Compound class: Synthetic organic
Comment: AZD1208 inhibits all members of the proviral integration Moloney virus (PIM) serine/threonine kinase family, that was intended for use as an anticancer drug [1-2]. This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox.
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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 3
Topological polar surface area 100.73
Molecular weight 379.14
XLogP 3.51
No. Lipinski's rules broken 0
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Canonical SMILES NC1CCCN(C1)c1c(cccc1c1ccccc1)C=C1SC(=O)NC1=O
Isomeric SMILES N[C@@H]1CCCN(C1)c1c(cccc1c1ccccc1)/C=C/1\SC(=O)NC1=O
InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12-/t16-/m1/s1
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Molecular structure representations generated using Open Babel