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Ligand

NameCHEMBL1628266
Molecular formulaC26H26N6O4
IUPAC nameN-(4-cyanophenyl)-2-[4-[2,6-dioxo-1,3-bis(2,2,3,3,3-pentatritiopropyl)-7H-purin-8-yl]phenoxy]acetamide
Molecular weight506.612
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.9
SynonymsN/A
Inchi KeyAJBBEYXFRYFVNM-XEMFKVMZSA-N
Inchi IDInChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)/i1T3,2T3,3T2,4T2
PubChem CID53322105
ChEMBLCHEMBL1628266
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6739Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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