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Ligand

NameMLS000536654
Molecular formulaC18H26N6O
IUPAC name2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
Molecular weight342.447
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.6
SynonymsAC1M5R72
CHEMBL1507778
SCHEMBL13827605
MolPort-003-998-115
HMS1762P21
[ Show all ]
Inchi KeyANPGSMCYEYNRKL-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H26N6O/c1-12-9-13(2)21-18(20-12)24-16(10-14(3)23-24)22-17(25)11-19-15-7-5-4-6-8-15/h9-10,15,19H,4-8,11H2,1-3H3,(H,22,25)
PubChem CID2334596
ChEMBLCHEMBL1507778
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
9761Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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