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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(Z,3R)-1-azabicyclo[2.2.2]oct-3-carbonimidoyl cyanide
International Nonproprietary Names Click here for help
INN number INN
7427 sabcomeline
Synonyms Click here for help
SB-202026
Database Links Click here for help
BindingDB Ligand 50061705
CAS Registry No. 159912-53-5 (source: Scifinder)
ChEMBL Ligand CHEMBL134641
DrugCentral Ligand 3536
GtoPdb PubChem SID 135650975
PubChem CID 9577995
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