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Ligand

NameCID 44443801
Molecular formulaC26H29F6N3O2
IUPAC name3-[3,5-bis(trifluoromethyl)phenyl]-1-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]imidazolidine-2,4-dione
Molecular weight529.527
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP5.3
SynonymsN/A
Inchi KeyBEPBXYAZDKQJHP-KKSFZXQISA-N
Inchi IDInChI=1S/C26H29F6N3O2/c1-24(2)16-4-3-15(21(24)12-16)13-33-7-5-19(6-8-33)34-14-22(36)35(23(34)37)20-10-17(25(27,28)29)9-18(11-20)26(30,31)32/h3,9-11,16,19,21H,4-8,12-14H2,1-2H3/t16-,21-/m0/s1
PubChem CID44443801
ChEMBLCHEMBL248773
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21782C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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