adenosine   Click here for help

GtoPdb Ligand ID: 2844

Synonyms: Adenocard® | Adenoscan®
Approved drug PDB Ligand
adenosine is an approved drug (FDA (1989))
Compound class: Metabolite
Comment: Endogenous nucleoside, a component of nucleic acids and an important neurotransmitter.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 139.54
Molecular weight 267.1
XLogP -1.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1ncnc2N
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChI Key OIRDTQYFTABQOQ-KQYNXXCUSA-N

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