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Ligand

NameCHEMBL202657
Molecular formulaC14H9F2N3O2
IUPAC name1-[(3,5-difluorophenyl)methyl]benzotriazole-5-carboxylic acid
Molecular weight289.242
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.4
SynonymsSCHEMBL6044207
1-(3,5-DIFLUORO-BENZYL)-1H-BENZOTRIAZOLE-5-CARBOXYLIC ACID
AKOS015965420
CTK7B8005
Inchi KeyCNNVPNAWHCIIIU-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H9F2N3O2/c15-10-3-8(4-11(16)6-10)7-19-13-2-1-9(14(20)21)5-12(13)17-18-19/h1-6H,7H2,(H,20,21)
PubChem CID10446870
ChEMBLCHEMBL202657
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
46197Hydroxycarboxylic acid receptor 3P49019HCAR3Homo sapiens (Human)387

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