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Ligand

NameCHEMBL2152381
Molecular formulaC24H25Cl2N3O4
IUPAC nameN-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-3-(5-chloropyridin-2-yl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetamide
Molecular weight490.381
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50392981
Inchi KeyFYOPZVCSTLIOCA-CBPPOCRISA-N
Inchi IDInChI=1S/C24H25Cl2N3O4/c25-18-8-6-16(7-9-18)13-28-23(31)12-17-4-2-1-3-5-22(30)29-21(15-33-24(17)32)20-11-10-19(26)14-27-20/h1-2,6-11,14,17,21H,3-5,12-13,15H2,(H,28,31)(H,29,30)/b2-1+/t17-,21-/m0/s1
PubChem CID71453058
ChEMBLCHEMBL2152381
IUPHARN/A
BindingDB50392981
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
90408Smoothened homologP56726SmoMus musculus (Mouse)793

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