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Ligand

NameCHEMBL1689001
Molecular formulaC25H31BrFN3O4
IUPAC name5-bromo-2-(2-fluoroethoxy)-3-methoxy-N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]benzamide
Molecular weight536.442
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
SynonymsCHEMBL1739783
BDBM50339698
5-Bromo-2-(2-fluoroethoxy)-3-methoxy-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)-trans-butyl-2-enyl)benzamide oxalic acid salt
Inchi KeyAIDTVWDAJAVXLC-AATRIKPKSA-N
Inchi IDInChI=1S/C25H31BrFN3O4/c1-32-22-8-4-3-7-21(22)30-14-12-29(13-15-30)11-6-5-10-28-25(31)20-17-19(26)18-23(33-2)24(20)34-16-9-27/h3-8,17-18H,9-16H2,1-2H3,(H,28,31)/b6-5+
PubChem CID51353675
ChEMBLN/A
IUPHARN/A
BindingDB50339698
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6126D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
6125D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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