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Ligand

NameCHEMBL246500
Molecular formulaC20H22N4O3S
IUPAC name2-[(6-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzonitrile
Molecular weight398.481
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.9
SynonymsSCHEMBL4490872
Inchi KeyAHSJWARKWDLNDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N4O3S/c1-15-12-17(23-8-6-22-7-9-23)20-18(13-15)24(10-11-27-20)28(25,26)19-5-3-2-4-16(19)14-21/h2-5,12-13,22H,6-11H2,1H3
PubChem CID20765662
ChEMBLCHEMBL246500
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
58465-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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