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Ligand

NameCHEMBL3717828
Molecular formulaC22H20BrF3N6O4S2
IUPAC name3-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(cyclopropylamino)quinoxaline-6-carbonitrile;2,2,2-trifluoroacetic acid
Molecular weight633.459
Hydrogen bond acceptor14
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyFKORAUKUFQWSQP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19BrN6O2S2.C2HF3O2/c21-17-5-6-18(30-17)31(28,29)27-9-7-26(8-10-27)20-19(23-14-2-3-14)24-15-4-1-13(12-22)11-16(15)25-20;3-2(4,5)1(6)7/h1,4-6,11,14H,2-3,7-10H2,(H,23,24);(H,6,7)
PubChem CID127024597
ChEMBLCHEMBL3717828
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523875G-protein coupled receptor 6P46095GPR6Homo sapiens (Human)362

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