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Ligand

NameCHEMBL136644
Molecular formulaC20H21ClN2O
IUPAC name[2-chloro-4-(prop-2-enylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
Molecular weight340.851
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.9
Synonyms(4-Allylamino-2-chloro-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-methanone
BDBM50094086
3-Chloro-4-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-ylcarbonyl)-N-allylaniline
Inchi KeyCOHQROKUENHYIT-UHFFFAOYSA-N
Inchi IDInChI=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 CID10831068
ChEMBLCHEMBL136644
IUPHARN/A
BindingDB50094086
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
46676Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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