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Ligand

NameCHEMBL2152371
Molecular formulaC22H29NO5
IUPAC nametert-butyl 2-[(3R,8E,11S)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetate
Molecular weight387.476
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
SynonymsSCHEMBL2191473
BDBM50392971
tert-butyl 2-((3R,11S,E)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl)acetate
BJRLEQBLNKLHFN-ZGCXVMDJSA-N
SCHEMBL2191467
Inchi KeyBJRLEQBLNKLHFN-ZGCXVMDJSA-N
Inchi IDInChI=1S/C22H29NO5/c1-22(2,3)28-20(25)14-17-12-8-5-9-13-19(24)23-18(15-27-21(17)26)16-10-6-4-7-11-16/h4-8,10-11,17-18H,9,12-15H2,1-3H3,(H,23,24)/b8-5+/t17-,18-/m0/s1
PubChem CID67311782
ChEMBLCHEMBL2152371
IUPHARN/A
BindingDB50392971
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
25388Smoothened homologP56726SmoMus musculus (Mouse)793

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