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Name | MLS-0437447.0001 |
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Molecular formula | C13H13N5O2S |
IUPAC name | methyl 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-phenylpyrazole-4-carboxylate |
Molecular weight | 303.34 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 1.4 |
Synonyms | 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 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-phenyl-4-pyrazolecarboxylic acid methyl ester [ Show all ] |
Inchi Key | AGXNETLQIRTERZ-OVCLIPMQSA-N |
Inchi ID | InChI=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 CID | 9581004 |
ChEMBL | CHEMBL1700099 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
5317 | G-protein coupled receptor 35 | Q9HC97 | GPR35 | Homo sapiens (Human) | 309 |
5318 | G-protein coupled receptor 55 | Q9Y2T6 | GPR55 | Homo sapiens (Human) | 319 |
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