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Ligand

NameMLS000833566
Molecular formulaC19H19F3N4O3
IUPAC name4-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carboxamide
Molecular weight408.381
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.8
SynonymsCHEMBL1380541
MCULE-9353053829
BDBM72746
SMR000457087
cid_2795892
[ Show all ]
Inchi KeyAFWZIJWCDZWCIS-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19F3N4O3/c20-19(21,22)14-7-8-16(17(13-14)26(28)29)24-9-4-10-25(12-11-24)18(27)23-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12H2,(H,23,27)
PubChem CID2795892
ChEMBLCHEMBL1380541
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4581Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
4582Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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