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Ligand

NameAC1MEFGH
Molecular formulaC18H31N3S
IUPAC name[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]thiourea
Molecular weight321.527
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.7
SynonymsMolPort-002-158-287
HMS2483P22
[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]thiourea
MCULE-1181021182
Inchi KeyAAODAXBGVQWVMB-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H31N3S/c1-12(20-21-16(19)22)9-14-10-13-7-6-8-17(2,3)15(13)11-18(14,4)5/h14H,6-11H2,1-5H3,(H3,19,21,22)
PubChem CID2854355
ChEMBLN/A
IUPHARN/A
BindingDB79972
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
384C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374

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