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Ligand

NameCHEMBL337789
Molecular formulaC25H29F6N3O3
IUPAC name2-[2-[4-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazin-1-yl]ethoxy]acetamide
Molecular weight533.515
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50000250
Inchi KeyAEGNWBZPYYNCRL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29F6N3O3/c26-24(27,28)20-12-18(13-21(14-20)25(29,30)31)15-37-16-22(19-4-2-1-3-5-19)34-8-6-33(7-9-34)10-11-36-17-23(32)35/h1-5,12-14,22H,6-11,15-17H2,(H2,32,35)
PubChem CID44358569
ChEMBLCHEMBL337789
IUPHARN/A
BindingDB50000250
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
3447Substance-P receptorP25103TACR1Homo sapiens (Human)407

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