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Ligand

NameCHEMBL594738
Molecular formulaC14H13ClN2OS
IUPAC name(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)pent-4-enamide
Molecular weight292.781
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50305926
(S)-2-(4-chlorophenyl)-N-(thiazol-2-yl)pent-4-enamide
Inchi KeyHSOAIKDJQLYYGH-LBPRGKRZSA-N
Inchi IDInChI=1S/C14H13ClN2OS/c1-2-3-12(10-4-6-11(15)7-5-10)13(18)17-14-16-8-9-19-14/h2,4-9,12H,1,3H2,(H,16,17,18)/t12-/m0/s1
PubChem CID46226356
ChEMBLCHEMBL594738
IUPHARN/A
BindingDB50305926
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
122990Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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