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Ligand

NameCHEMBL2152374
Molecular formulaC24H26ClN3O4
IUPAC nameN-[(4-chlorophenyl)methyl]-2-[(5E,11R)-2,9-dioxo-11-phenyl-1-oxa-3,10-diazacyclododec-5-en-3-yl]acetamide
Molecular weight455.939
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50392974
Inchi KeyIADGNCNLTQZFBV-FNLFUECCSA-N
Inchi IDInChI=1S/C24H26ClN3O4/c25-20-12-10-18(11-13-20)15-26-23(30)16-28-14-6-2-5-9-22(29)27-21(17-32-24(28)31)19-7-3-1-4-8-19/h1-4,6-8,10-13,21H,5,9,14-17H2,(H,26,30)(H,27,29)/b6-2+/t21-/m0/s1
PubChem CID71454802
ChEMBLCHEMBL2152374
IUPHARN/A
BindingDB50392974
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
128306Smoothened homologP56726SmoMus musculus (Mouse)793

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