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Name | 5-bromo-1H-indole-2,3-dione 3-[N-(4-hydroxyphenyl)thiosemicarbazone] |
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Molecular formula | C15H11BrN4O2S |
IUPAC name | 1-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(4-hydroxyphenyl)thiourea |
Molecular weight | 391.243 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 4 |
XlogP | 4.3 |
Synonyms | 5-bromo-3-[({[(4-hydroxyphenyl)amino]thioxomethyl}amino)azamethylene]-1H-benzo [d]azolin-2-one MCULE-4739599541 ZINC100548041 (Z)-2-(5-bromo-2-oxoindolin-3-ylidene)-N-(4-hydroxyphenyl)hydrazinecarbothioamide BIM-0039349.P001 [ Show all ] |
Inchi Key | ACKCEYIVRXUHDK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C15H11BrN4O2S/c16-8-1-6-12-11(7-8)13(14(22)18-12)19-20-15(23)17-9-2-4-10(21)5-3-9/h1-7,18,21-22H,(H,17,23) |
PubChem CID | 1360178 |
ChEMBL | CHEMBL1467422 |
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 |
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557346 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
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