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Ligand

Nameethyl 5-[(cyclobutylcarbonyl)amino]-1-(4-isopropylphenyl)-1H-pyrazole-4-carboxylate
Molecular formulaC20H25N3O3
IUPAC nameethyl 5-(cyclobutanecarbonylamino)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate
Molecular weight355.438
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.3
SynonymsMolPort-002-832-996
MCULE-3455109220
AC1LJKCW
SMR000161064
CHEMBL1391282
[ Show all ]
Inchi KeyAGOPEKPBWZFFKA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25N3O3/c1-4-26-20(25)17-12-21-23(16-10-8-14(9-11-16)13(2)3)18(17)22-19(24)15-6-5-7-15/h8-13,15H,4-7H2,1-3H3,(H,22,24)
PubChem CID1025740
ChEMBLCHEMBL1391282
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
5082Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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