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Ligand

NameMLS001171340
Molecular formulaC16H13N5O3
IUPAC name(E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]-N-pyridin-2-ylprop-2-enamide
Molecular weight323.312
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.3
Synonyms(E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]-N-(2-pyridyl)acrylamide
cid_6311448
(E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]-N-pyridin-2-ylprop-2-enamide
SMR000589564
(E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]-N-pyridin-2-yl-prop-2-enamide
[ Show all ]
Inchi KeyFPUQPGSEJRDRMP-XYOKQWHBSA-N
Inchi IDInChI=1S/C16H13N5O3/c1-18-13-6-5-11(9-14(13)21(23)24)8-12(10-17)16(22)20-15-4-2-3-7-19-15/h2-9,18H,1H3,(H,19,20,22)/b12-8+
PubChem CID6311448
ChEMBLCHEMBL1310631
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
84372Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
84373Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
84374Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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