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Ligand

NameMLS000877370
Molecular formulaC25H25ClN2O4
IUPAC nameNone
Molecular weight452.935
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.4
SynonymsHMS2222O17
SMR000451125
HMS3339K22
CHEMBL1568255
Inchi KeyAQHULQBZUNRDAO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25ClN2O4/c1-16(2)23(30)28-12-10-24(11-13-28)25(15-20(27-32-25)17-6-4-3-5-7-17)22(29)19-14-18(26)8-9-21(19)31-24/h3-9,14,16H,10-13,15H2,1-2H3
PubChem CID16682102
ChEMBLCHEMBL1568255
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
11761Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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