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Ligand

NameCHEMBL2152368
Molecular formulaC18H22N2O4
IUPAC nameN-[(3R,8E,11R)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide
Molecular weight330.384
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.4
SynonymsBDBM50392968
SCHEMBL17497248
BRD-K90370028-001-01-9
N-((3R,11R,E)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl)acetamide
AINZSMIJPNBGRE-DBLORFJXSA-N
[ Show all ]
Inchi KeyAINZSMIJPNBGRE-DBLORFJXSA-N
Inchi IDInChI=1S/C18H22N2O4/c1-13(21)19-15-10-6-3-7-11-17(22)20-16(12-24-18(15)23)14-8-4-2-5-9-14/h2-6,8-9,15-16H,7,10-12H2,1H3,(H,19,21)(H,20,22)/b6-3+/t15-,16+/m1/s1
PubChem CID70680404
ChEMBLCHEMBL2152368
IUPHARN/A
BindingDB50392968
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
6389Smoothened homologP56726SmoMus musculus (Mouse)793

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