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Ligand

NameCHEMBL1270013
Molecular formulaC21H24N4O3
IUPAC nameN-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-3-methoxybenzamide
Molecular weight380.448
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.9
SynonymsN-(2-(4-(benzo[d]isoxazol-3-yl)piperazin-1-yl)ethyl)-3-methoxybenzamide
BDBM50329405
Inchi KeyCKPAPDLVEHXFQY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N4O3/c1-27-17-6-4-5-16(15-17)21(26)22-9-10-24-11-13-25(14-12-24)20-18-7-2-3-8-19(18)28-23-20/h2-8,15H,9-14H2,1H3,(H,22,26)
PubChem CID49788867
ChEMBLCHEMBL1270013
IUPHARN/A
BindingDB50329405
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
44307D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
44308D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387

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