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Ligand

NameMLS000071942
Molecular formulaC27H31N7O
IUPAC name3-[(1-cyclopentyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
Molecular weight469.593
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsASN 03777400
SMR000002493
3-[(1-cyclopentyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-7-methyl-1H-quinolin-2-one
AC1LCIQK
[ Show all ]
Inchi KeyADHPEXKPDZDCGO-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31N7O/c1-19-11-12-20-18-23(27(35)28-24(20)17-19)25(26-29-30-31-34(26)22-9-5-6-10-22)33-15-13-32(14-16-33)21-7-3-2-4-8-21/h2-4,7-8,11-12,17-18,22,25H,5-6,9-10,13-16H2,1H3,(H,28,35)
PubChem CID650853
ChEMBLCHEMBL1484665
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2316Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
463210Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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