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Ligand

NameCHEMBL395844
Molecular formulaC15H14ClFN4O
IUPAC name2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
Molecular weight320.752
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50197771
Hydrazinecarboximidamide, 2-[[3-fluoro-2-[(4-chlorophenyl)methoxy]phenyl]methylene]-, (2E)-
(2E)-2-{2-[(4-chlorobenzyl)oxy]-3-fluorobenzylidene}hydrazinecarboximidamide
1-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluoro-phenyl]methyleneamino]guanidine
Inchi KeyAYUTVIVIEVCEQQ-DNTJNYDQSA-N
Inchi IDInChI=1S/C15H14ClFN4O/c16-12-6-4-10(5-7-12)9-22-14-11(2-1-3-13(14)17)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)/b20-8+
PubChem CID16728633
ChEMBLCHEMBL395844
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
17805C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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