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Ligand

NameCHEMBL1433681
Molecular formulaC20H18ClN3OS
IUPAC nameN-benzyl-5-chloro-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide
Molecular weight383.894
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.6
SynonymsZINC6748013
D233-0082
MolPort-000-522-479
NCGC00117369-01
HMS1849M18
[ Show all ]
Inchi KeyAEUUSOMOYRTXIF-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18ClN3OS/c1-14-7-9-16(10-8-14)13-26-20-23-12-17(21)18(24-20)19(25)22-11-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,22,25)
PubChem CID16014372
ChEMBLCHEMBL1433681
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
3869Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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