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Name | CHEMBL299532 |
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Molecular formula | C25H19BrN4O2 |
IUPAC name | 2-bromo-N-[5-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)pyridin-2-yl]benzamide |
Molecular weight | 487.357 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-pyridin-2-yl]-2-bromo-benzamide SCHEMBL7389615 BDBM50078660 FVUQSOHHXAGXSN-UHFFFAOYSA-N N-[5-(5H-pyrrolo-[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)-2-pyridinyl]-2-bromobenzamide [ Show all ] |
Inchi Key | FVUQSOHHXAGXSN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H19BrN4O2/c26-21-9-3-2-8-20(21)24(31)28-23-12-11-17(14-27-23)25(32)30-16-19-7-5-13-29(19)15-18-6-1-4-10-22(18)30/h1-14H,15-16H2,(H,27,28,31) |
PubChem CID | 18917497 |
ChEMBL | CHEMBL299532 |
IUPHAR | N/A |
BindingDB | 50078660 |
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 |
---|---|---|---|---|---|
88535 | Vasopressin V1a receptor | P30560 | Avpr1a | Rattus norvegicus (Rat) | 424 |
88534 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
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