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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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
Search Google for chemical match using the InChIKey RTRQQBHATOEIAF-UUOKFMHZSA-N
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UniChem Compound Search for chemical match using the InChIKey RTRQQBHATOEIAF-UUOKFMHZSA-N
UniChem Connectivity Search for chemical match using the InChIKey RTRQQBHATOEIAF-UUOKFMHZSA-N
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Cat. No. 2840