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Ligand

NameCHEMBL379192
Molecular formulaC26H29F2N3O3
IUPAC name(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methylacetamide
Molecular weight469.533
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
SynonymsSCHEMBL3929445
Inchi KeyBHSQMVFEBBDVTO-DNVJHFABSA-N
Inchi IDInChI=1S/C26H29F2N3O3/c1-14(2)10-21-24(32)30-22(17-11-15-6-4-5-7-16(15)12-17)26(34)31(21)23(25(33)29-3)19-9-8-18(27)13-20(19)28/h4-9,13-14,17,21-23H,10-12H2,1-3H3,(H,29,33)(H,30,32)/t21-,22-,23-/m1/s1
PubChem CID11662784
ChEMBLCHEMBL379192
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
24029Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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