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Name | CHEMBL136644 |
---|---|
Molecular formula | C20H21ClN2O |
IUPAC name | [2-chloro-4-(prop-2-enylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone |
Molecular weight | 340.851 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 4.9 |
Synonyms | 3-Chloro-4-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-ylcarbonyl)-N-allylaniline (4-Allylamino-2-chloro-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-methanone BDBM50094086 |
Inchi Key | COHQROKUENHYIT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H21ClN2O/c1-2-12-22-16-10-11-17(18(21)14-16)20(24)23-13-6-5-8-15-7-3-4-9-19(15)23/h2-4,7,9-11,14,22H,1,5-6,8,12-13H2 |
PubChem CID | 10831068 |
ChEMBL | CHEMBL136644 |
IUPHAR | N/A |
BindingDB | 50094086 |
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 |
---|---|---|---|---|---|
46676 | Vasopressin V2 receptor | P30518 | AVPR2 | Homo sapiens (Human) | 371 |
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