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Ligand

NameCHEMBL3144354
Molecular formulaC28H29N3O4S
IUPAC name4-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-5-thione
Molecular weight503.617
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
SynonymsN/A
Inchi KeyAHIORVJMAGWPGK-FPCALVHFSA-N
Inchi IDInChI=1S/C28H29N3O4S/c36-28-30-29-20-31(28)27-26(34-18-23-14-8-3-9-15-23)25(33-17-22-12-6-2-7-13-22)24(35-27)19-32-16-21-10-4-1-5-11-21/h1-15,20,24-27H,16-19H2,(H,30,36)/t24-,25-,26-,27-/m1/s1
PubChem CID21797090
ChEMBLCHEMBL3144354
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
55785-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
55795-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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