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Ligand

NameCHEMBL568693
Molecular formulaC14H17N3O
IUPAC name1-benzyl-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
Molecular weight243.31
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP1.2
SynonymsBDBM50301285
1-benzyl-1,2,5,6,7,8-hexahydropyrazolo[4,3-d]azepin-3(4H)-one
Inchi KeyAQEVTTPQORHLEG-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H17N3O/c18-14-12-6-8-15-9-7-13(12)17(16-14)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2,(H,16,18)
PubChem CID45484701
ChEMBLCHEMBL568693
IUPHARN/A
BindingDB50301285
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
116225-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
116235-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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