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Ligand

NameAC1OC89K
Molecular formulaC12H9Cl2N3OS
IUPAC name[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]thiourea
Molecular weight314.184
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.5
Synonyms5-(2,5-DICHLOROPHENYL)-2-FURALDEHYDE THIOSEMICARBAZONE
MLS000525770
CHEMBL3193305
SCHEMBL12417171
MolPort-000-886-298
[ Show all ]
Inchi KeyADXFRNKHMYIVPJ-OMCISZLKSA-N
Inchi IDInChI=1S/C12H9Cl2N3OS/c13-7-1-3-10(14)9(5-7)11-4-2-8(18-11)6-16-17-12(15)19/h1-6H,(H3,15,17,19)/b16-6+
PubChem CID6896701
ChEMBLCHEMBL3193305
IUPHARN/A
BindingDBN/A
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
3203Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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