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Ligand

NameCHEMBL2413512
Molecular formulaC21H22FN7O
IUPAC name[(1R,6S)-8-(4,6-dimethylpyrimidin-2-yl)-3,8-diazabicyclo[4.2.0]octan-3-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
Molecular weight407.453
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.9
SynonymsSCHEMBL11900340
BDBM50438809
Inchi KeyAIJWSTPDSILCOZ-KXBFYZLASA-N
Inchi IDInChI=1S/C21H22FN7O/c1-13-9-14(2)26-21(25-13)28-11-15-5-8-27(12-19(15)28)20(30)17-10-16(22)3-4-18(17)29-23-6-7-24-29/h3-4,6-7,9-10,15,19H,5,8,11-12H2,1-2H3/t15-,19-/m0/s1
PubChem CID52918933
ChEMBLCHEMBL2413512
IUPHARN/A
BindingDB50438809
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
6292Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
6291Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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