AZD8186   Click here for help

GtoPdb Ligand ID: 8527

Synonyms: AZD 8186 | AZD-8186
Compound class: Synthetic organic
Comment: AZD8186 is a selective inhibitor of PI3Kβ- and δ-mediated AKT signalling [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 75.02
Molecular weight 457.18
XLogP 4.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1cc(cc(c1)F)NC(c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C)C
Isomeric SMILES Fc1cc(cc(c1)F)N[C@@H](c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C)C
InChI InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1
InChI Key LMJFJIDLEAWOQJ-CQSZACIVSA-N
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Molecular structure representations generated using Open Babel