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Ligand

NameCHEMBL1186825
Molecular formulaC30H29ClF2N4O2
IUPAC name(2Z)-2-[1-[2-chloro-4-(3-methylpyrrolidin-1-yl)benzoyl]-4,4-difluoro-2,3-dihydro-1-benzazepin-5-ylidene]-N-(pyridin-2-ylmethyl)acetamide
Molecular weight551.035
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.0
Synonyms5H-1-benzazepin-5-ylidene acetamide, 10j
BDBM35703
Inchi KeyCTJJSXBYCXHYPK-UQQQWYQISA-N
Inchi IDInChI=1S/C30H29ClF2N4O2/c1-20-11-14-36(19-20)22-9-10-24(26(31)16-22)29(39)37-15-12-30(32,33)25(23-7-2-3-8-27(23)37)17-28(38)35-18-21-6-4-5-13-34-21/h2-10,13,16-17,20H,11-12,14-15,18-19H2,1H3,(H,35,38)/b25-17-
PubChem CID44520880
ChEMBLN/A
IUPHARN/A
BindingDB35703
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
50150Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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