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Ligand

NameSCHEMBL2682752
Molecular formulaC23H30ClN5O2
IUPAC name(1R,2R,3R,4S)-3-N-(2-chloropyrimidin-5-yl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
Molecular weight443.976
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.3
SynonymsCHEMBL3729699
Inchi KeyAACGGNAFRLCLCY-FCGDIQPGSA-N
Inchi IDInChI=1S/C23H30ClN5O2/c24-22-26-13-15(14-27-22)28-21(31)19-17-6-5-16(23(17)7-8-23)18(19)20(30)25-9-1-2-10-29-11-3-4-12-29/h5-6,13-14,16-19H,1-4,7-12H2,(H,25,30)(H,28,31)/t16-,17+,18-,19-/m1/s1
PubChem CID87422067
ChEMBLCHEMBL3729699
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
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GLASS IDNameUniProtGeneSpeciesLength
521441N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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