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Name | MLS000687475 |
---|---|
Molecular formula | C20H13BrN2O2 |
IUPAC name | 5-bromo-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione |
Molecular weight | 393.24 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 4.0 |
Synonyms | CHEMBL1404979 SMR000283504 5-bromo-2-[4-(pyridin-4-ylmethyl)phenyl]-1H-isoindole-1,3(2H)-dione AC1MJNRW MCULE-9232433834 [ Show all ] |
Inchi Key | AEVYLJIUBXCPPJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H13BrN2O2/c21-15-3-6-17-18(12-15)20(25)23(19(17)24)16-4-1-13(2-5-16)11-14-7-9-22-10-8-14/h1-10,12H,11H2 |
PubChem CID | 3094907 |
ChEMBL | CHEMBL1404979 |
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 |
---|---|---|---|---|---|
3898 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
463354 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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