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Ligand

NameBAS 03624680
Molecular formulaC19H20ClN3O3S
IUPAC nameN-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-2-methoxybenzamide
Molecular weight405.897
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsMLS000718043
CHEMBL1560887
MolPort-001-993-303
HMS2685N16
ZINC920171
[ Show all ]
Inchi KeyAHHKCZMSPIEAIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20ClN3O3S/c1-25-17-5-3-2-4-14(17)18(24)22-19(27)21-13-6-7-16(15(20)12-13)23-8-10-26-11-9-23/h2-7,12H,8-11H2,1H3,(H2,21,22,24,27)
PubChem CID1166289
ChEMBLCHEMBL1560887
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
463554Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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