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Ligand

NameMLS-0437447.0001
Molecular formulaC13H13N5O2S
IUPAC namemethyl 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-phenylpyrazole-4-carboxylate
Molecular weight303.34
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.4
Synonymsmethyl 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-phenylpyrazole-4-carboxylate
BDBM75870
cid_9581004
1-phenyl-5-[(E)-(thiocarbamoylhydrazono)methyl]pyrazole-4-carboxylic acid methyl ester
methyl 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-phenyl-pyrazole-4-carboxylate
[ Show all ]
Inchi KeyAGXNETLQIRTERZ-OVCLIPMQSA-N
Inchi IDInChI=1S/C13H13N5O2S/c1-20-12(19)10-7-16-18(9-5-3-2-4-6-9)11(10)8-15-17-13(14)21/h2-8H,1H3,(H3,14,17,21)/b15-8+
PubChem CID9581004
ChEMBLCHEMBL1700099
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5317G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
5318G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319

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