(R)-PIA   Click here for help

GtoPdb Ligand ID: 414

Synonyms: (R)-PIA | phenylisopropyladenosine
Compound class: Synthetic organic
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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 6
Topological polar surface area 125.55
Molecular weight 385.18
XLogP 1.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1ncnc2NC(Cc1ccccc1)C
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C
InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
InChI Key RIRGCFBBHQEQQH-SSFGXONLSA-N
References
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A threonine residue in the seventh transmembrane domain of the human A1 adenosine receptor mediates specific agonist binding.
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