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Ligand

NameSCHEMBL2682706
Molecular formulaC22H27N5O4S
IUPAC name(1R,2R,3R,4S)-3-N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-2-N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
Molecular weight457.549
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP0.0
SynonymsCHEMBL3730255
Inchi KeyBFHKMHULOMZLOX-LTCOOKNTSA-N
Inchi IDInChI=1S/C22H27N5O4S/c1-12(28)15-11-32-16(26-15)10-25-20(30)18-14-3-2-13(22(14)4-5-22)17(18)19(29)23-6-8-27-9-7-24-21(27)31/h2-3,11,13-14,17-18H,4-10H2,1H3,(H,23,29)(H,24,31)(H,25,30)/t13-,14+,17-,18-/m1/s1
PubChem CID67495596
ChEMBLCHEMBL3730255
IUPHARN/A
BindingDBN/A
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
522214N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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