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Name | MLS000723835 |
---|---|
Molecular formula | C20H15N3O5S |
IUPAC name | (5E)-1-(4-methoxyphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
Molecular weight | 409.416 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | (5E)-1-(4-methoxyphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone HMS2626K13 AKOS001625385 MolPort-002-708-401 (5E)-1-(4-methoxyphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione [ Show all ] |
Inchi Key | HIDMRGKPCRILQV-ANSBUGDOSA-N |
Inchi ID | InChI=1S/C20H15N3O5S/c1-28-15-11-9-14(10-12-15)22-19(25)16(18(24)21-20(22)29)7-4-6-13-5-2-3-8-17(13)23(26)27/h2-12H,1H3,(H,21,24,29)/b6-4+,16-7+ |
PubChem CID | 2180260 |
ChEMBL | CHEMBL1582121 |
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 |
---|---|---|---|---|---|
115566 | C-C chemokine receptor type 6 | P51684 | CCR6 | Homo sapiens (Human) | 374 |
115565 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
477136 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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