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Ligand

NameMLS000027156
Molecular formulaC23H30N6
IUPAC name4-[(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N,N-dimethylaniline
Molecular weight390.535
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.7
SynonymsCHEMBL1426925
{4-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)-methyl]-phenyl}-dimethyl-amine
4-[(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N,N-dimethylaniline
Oprea1_607477
ASN 05346330
[ Show all ]
Inchi KeyAAFZDYDDZPHGMB-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30N6/c1-23(2,3)29-22(24-25-26-29)21(18-10-12-20(13-11-18)27(4)5)28-15-14-17-8-6-7-9-19(17)16-28/h6-13,21H,14-16H2,1-5H3
PubChem CID653221
ChEMBLCHEMBL1426925
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
182Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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