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Ligand

NameSMR000044353
Molecular formulaC20H24N6OS
IUPAC name4-(12-piperazin-1-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-7-yl)morpholine
Molecular weight396.513
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.6
SynonymsMLS000082577
AC1LD9TO
MLS002583569
CHEMBL1350474
Inchi KeyACJWGEZCKBBQJF-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N6OS/c1-2-13-14(3-1)18(26-8-10-27-11-9-26)24-20-15(13)16-17(28-20)19(23-12-22-16)25-6-4-21-5-7-25/h12,21H,1-11H2
PubChem CID663601
ChEMBLCHEMBL1350474
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1647Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
1646Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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