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Ligand

NameCHEMBL304655
Molecular formulaC20H18Br2F3N3O2
IUPAC name5-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
Molecular weight549.186
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.9
SynonymsBDBM50282333
5-Butyl-4-(3,5-dibromo-4-hydroxy-benzyl)-2-(2-trifluoromethyl-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
Inchi KeyBPBNAPMMJPPUIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18Br2F3N3O2/c1-2-3-8-17-26-28(16-7-5-4-6-13(16)20(23,24)25)19(30)27(17)11-12-9-14(21)18(29)15(22)10-12/h4-7,9-10,29H,2-3,8,11H2,1H3
PubChem CID44306709
ChEMBLCHEMBL304655
IUPHARN/A
BindingDB50282333
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29386Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359

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