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Ligand

NameSMR000104990
Molecular formulaC17H17NO
IUPAC name3-cyclopentylidene-2,4-dihydro-1H-cyclopenta[b]quinolin-9-one
Molecular weight251.329
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.1
SynonymsMLS000109043
3-cyclopentylidene-2,4-dihydro-1H-cyclopenta[b]quinolin-9-one
AC1LEGND
Oprea1_654541
cid_685883
[ Show all ]
Inchi KeyAEJMHTYAQKKYTD-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17NO/c19-17-13-7-3-4-8-15(13)18-16-12(9-10-14(16)17)11-5-1-2-6-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,18,19)
PubChem CID685883
ChEMBLCHEMBL1375019
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
3517Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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