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Ligand

NameSMR000634331
Molecular formulaC26H30N4O5S
IUPAC name7-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
Molecular weight510.609
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.1
SynonymsMLS001029371
MLS003881777
CHEMBL1413061
MolPort-007-912-013
HMS2942K11
[ Show all ]
Inchi KeyADFQVBGUPIOXRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N4O5S/c1-33-19-7-5-6-18(14-19)28-10-12-29(13-11-28)24(31)8-3-2-4-9-30-25(32)20-15-22-23(35-17-34-22)16-21(20)27-26(30)36/h5-7,14-16H,2-4,8-13,17H2,1H3,(H,27,36)
PubChem CID15996885
ChEMBLCHEMBL1413061
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

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

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
2234Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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