sumanirole   

GtoPdb Ligand ID: 3949

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 49.82
Molecular weight 203.11
XLogP 0.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNC1Cc2cccc3c2n(C1)c(=O)[nH]3
Isomeric SMILES CN[C@@H]1Cc2cccc3c2n(C1)c(=O)[nH]3
InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
InChI Key RKZSNTNMEFVBDT-MRVPVSSYSA-N
Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
8051 sumanirole
Database Links
CAS Registry No. 179386-43-7 (source: Scifinder)
ChEMBL Ligand CHEMBL419792
GtoPdb PubChem SID 178100776
PubChem CID 9818479
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Wikipedia Sumanirole