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Ligand

NameCHEMBL3730542
Molecular formulaC29H41N3O6
IUPAC name(1R,2R,3R,4S)-3-N-[(2,4-dimethoxyphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide;formic acid
Molecular weight527.662
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyCEJXZTSOFAIGNT-HXVAEXSLSA-N
Inchi IDInChI=1S/C28H39N3O4.CH2O2/c1-34-20-8-7-19(23(17-20)35-2)18-30-27(33)25-22-10-9-21(28(22)11-12-28)24(25)26(32)29-13-3-4-14-31-15-5-6-16-31;2-1-3/h7-10,17,21-22,24-25H,3-6,11-16,18H2,1-2H3,(H,29,32)(H,30,33);1H,(H,2,3)/t21-,22+,24-,25-;/m1./s1
PubChem CID127024279
ChEMBLCHEMBL3730542
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522735N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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