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Ligand

NameCID 45272456
Molecular formulaC25H24F4N2O
IUPAC name6-[2-fluoro-6-(trifluoromethyl)phenyl]-3-methylspiro[6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-9,1'-cyclopentane]-7-one
Molecular weight444.474
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.5
SynonymsN/A
Inchi KeyDOAKAPZVAOXJFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24F4N2O/c1-14-7-8-17-18(11-14)31-23(21-15(25(27,28)29)5-4-6-16(21)26)22-19(30-17)12-24(13-20(22)32)9-2-3-10-24/h4-8,11,23,30-31H,2-3,9-10,12-13H2,1H3
PubChem CID45272456
ChEMBLCHEMBL550567
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
64841Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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