sabcomeline   Click here for help

GtoPdb Ligand ID: 306

Synonyms: SB-202026
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 48.62
Molecular weight 193.12
XLogP 0.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CON=C(C1CN2CCC1CC2)C#N
Isomeric SMILES CO/N=C(/[C@H]1CN2CCC1CC2)\C#N
InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
InChI Key IQWCBYSUUOFOMF-QTLFRQQHSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel