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Ligand

NameCHEMBL2152370
Molecular formulaC22H27F3N2O4
IUPAC name2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(4,4,4-trifluorobutyl)acetamide
Molecular weight440.463
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.1
SynonymsSCHEMBL17497360
SCHEMBL17497363
BDBM50392970
GELMVQBWAPVGHJ-ZYQPHWHESA-N
2-((2R,6S,E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)-N-(4,4,4-trifluorobutyl)acetamide
Inchi KeyGELMVQBWAPVGHJ-ZYQPHWHESA-N
Inchi IDInChI=1S/C22H27F3N2O4/c23-22(24,25)12-7-13-26-19(28)14-17-10-5-2-6-11-20(29)31-18(15-27-21(17)30)16-8-3-1-4-9-16/h1-5,8-9,17-18H,6-7,10-15H2,(H,26,28)(H,27,30)/b5-2+/t17-,18-/m0/s1
PubChem CID71451241
ChEMBLCHEMBL2152370
IUPHARN/A
BindingDB50392970
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
94456Smoothened homologP56726SmoMus musculus (Mouse)793

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