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Ligand

NameCHEMBL94579
Molecular formulaC27H29N3O
IUPAC name5-methoxy-1-N,3-N-bis[2-(4-methylphenyl)ethyl]isoindole-1,3-diimine
Molecular weight411.549
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50105658
N,N'-Bis(4-methylphenethyl)-5-methoxyisoindoline-1,3-diimine
5-Methoxy-1,3-bis-[(Z)-2-p-tolyl-ethylimino]-2,3-dihydro-1H-isoindole
Inchi KeyFZBLHXZTCWYRSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N3O/c1-19-4-8-21(9-5-19)14-16-28-26-24-13-12-23(31-3)18-25(24)27(30-26)29-17-15-22-10-6-20(2)7-11-22/h4-13,18H,14-17H2,1-3H3,(H,28,29,30)
PubChem CID136110890
ChEMBLCHEMBL94579
IUPHARN/A
BindingDB50105658
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
90740C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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