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Ligand

NameCHEMBL2152369
Molecular formulaC23H31N3O4
IUPAC name(2R,6S,8E)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
Molecular weight413.518
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.3
SynonymsBDBM50392969
SCHEMBL17515417
Inchi KeyHSBQIJGEOSTLSE-HELANRRESA-N
Inchi IDInChI=1S/C23H31N3O4/c1-25-12-14-26(15-13-25)21(27)16-19-10-6-3-7-11-22(28)30-20(17-24-23(19)29)18-8-4-2-5-9-18/h2-6,8-9,19-20H,7,10-17H2,1H3,(H,24,29)/b6-3+/t19-,20-/m0/s1
PubChem CID71460283
ChEMBLCHEMBL2152369
IUPHARN/A
BindingDB50392969
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
122609Smoothened homologP56726SmoMus musculus (Mouse)793

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