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Ligand

NameCHEMBL2152362
Molecular formulaC32H33ClN2O4
IUPAC name2-[(3R,6R,8E,11S)-6-benzyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]-N-[(4-chlorophenyl)methyl]acetamide
Molecular weight545.076
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50392962
2-((3R,6R,11S,E)-6-benzyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl)-N-(4-chlorobenzyl)acetamide
CGQFZMGRUMZRJD-BRSWAKDMSA-N
SCHEMBL17497430
SCHEMBL17497433
Inchi KeyCGQFZMGRUMZRJD-BRSWAKDMSA-N
Inchi IDInChI=1S/C32H33ClN2O4/c33-28-17-15-24(16-18-28)21-34-30(36)20-27-14-8-7-13-26(19-23-9-3-1-4-10-23)31(37)35-29(22-39-32(27)38)25-11-5-2-6-12-25/h1-12,15-18,26-27,29H,13-14,19-22H2,(H,34,36)(H,35,37)/b8-7+/t26-,27+,29+/m1/s1
PubChem CID71461978
ChEMBLCHEMBL2152362
IUPHARN/A
BindingDB50392962
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
41524Smoothened homologP56726SmoMus musculus (Mouse)793

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