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Name | CHEMBL70981 |
---|---|
Molecular formula | C27H22FN3O2 |
IUPAC name | N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-3-fluoro-2-methylbenzamide |
Molecular weight | 439.49 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.2 |
Synonyms | N-[4-(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-10-ylcarbonyl)phenyl]-2-methyl-3-fluorobenzamide N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-phenyl]-3-fluoro-2-methyl-benzamide SCHEMBL8313271 BDBM50065119 |
Inchi Key | FKPSXZYDHTYIDN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H22FN3O2/c1-18-23(8-4-9-24(18)28)26(32)29-21-13-11-19(12-14-21)27(33)31-17-22-7-5-15-30(22)16-20-6-2-3-10-25(20)31/h2-15H,16-17H2,1H3,(H,29,32) |
PubChem CID | 10551037 |
ChEMBL | CHEMBL70981 |
IUPHAR | N/A |
BindingDB | 50065119 |
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 |
---|---|---|---|---|---|
80733 | Vasopressin V1a receptor | P30560 | Avpr1a | Rattus norvegicus (Rat) | 424 |
80734 | Vasopressin V2 receptor | Q00788 | Avpr2 | Rattus norvegicus (Rat) | 371 |
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