acadesine   Click here for help

GtoPdb Ligand ID: 5133

Synonyms: AICA-riboside | AR-100 | SCH-900395
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 3
Topological polar surface area 156.85
Molecular weight 258.1
XLogP -1.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC1OC(C(C1O)O)n1cnc(c1N)C(=O)N
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(c1N)C(=O)N
InChI InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1
InChI Key RTRQQBHATOEIAF-UUOKFMHZSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-4-carboxamide
International Nonproprietary Names Click here for help
INN number INN
6758 acadesine
Synonyms Click here for help
AICA-riboside | AR-100 | SCH-900395
Database Links Click here for help
CAS Registry No. 2627-69-2
ChEMBL Ligand CHEMBL1551724
DrugBank Ligand DB04944
DrugCentral Ligand 37
GtoPdb PubChem SID 178101825
PubChem CID 17513
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Tocris
AICAR
Cat. No. 2840