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Ligand

NameMLS001210350
Molecular formulaC18H20N4O3
IUPAC name(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-nitrophenyl)methanimine
Molecular weight340.383
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.5
SynonymsSMR000516307
[4-(2-Methoxy-phenyl)-piperazin-1-yl]-(4-nitro-benzylidene)-amine
N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-nitrophenyl)methanimine
AC1NWDQ8
cid_727369
[ Show all ]
Inchi KeyAIABCCLQLAWZCM-XMHGGMMESA-N
Inchi IDInChI=1S/C18H20N4O3/c1-25-18-5-3-2-4-17(18)20-10-12-21(13-11-20)19-14-15-6-8-16(9-7-15)22(23)24/h2-9,14H,10-13H2,1H3/b19-14+
PubChem CID5727633
ChEMBLCHEMBL3196057
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
463606Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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