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Ligand

NameMLS000417683
Molecular formulaC22H24N4O3S2
IUPAC nameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
Molecular weight456.579
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.6
SynonymsAC1NOC55
SMR000242756
N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide
HMS2530A24
N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-(4-quinazolinylthio)acetamide
[ Show all ]
Inchi KeyDGAKDVIAOVPIHJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N4O3S2/c1-16-9-10-17(31(28,29)26-11-5-2-6-12-26)13-20(16)25-21(27)14-30-22-18-7-3-4-8-19(18)23-15-24-22/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3,(H,25,27)
PubChem CID5110655
ChEMBLCHEMBL1519696
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
59077Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
59079Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
59078Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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