inamrinone   

GtoPdb Ligand ID: 7202

Synonyms: amrinone lactate | Inocor® | WIN-40680
inamrinone is an approved drug (FDA (1984))
Compound class: Synthetic organic
Comment: Inamrinone is a phosphodiesterase inhibitor.
Marketed formulations may contain inamrinone lactate (PubChem CID 3035194).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 72.03
Molecular weight 187.07
XLogP 1.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Oc1ncc(cc1N)c1ccncc1
Isomeric SMILES Oc1ncc(cc1N)c1ccncc1
InChI InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)
InChI Key RNLQIBCLLYYYFJ-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel