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Ligand

NameCHEMBL166265
Molecular formulaC26H22FN3O2
IUPAC nameN-[4-(3,9-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-9-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
Molecular weight427.479
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.8
SynonymsN-[4-(3,4,5,6-Tetrahydro-1H-azepino[4,3,2-cd]indole-6-ylcarbonyl)phenyl]-2-methyl-5-fluorobenzamide
5-Fluoro-2-methyl-N-[4-(1,3,4,5-tetrahydro-azepino[4,3,2-cd]indole-6-carbonyl)-phenyl]-benzamide
BDBM50125110
Inchi KeyCCJORWLGDANJOB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H22FN3O2/c1-16-7-10-19(27)14-21(16)25(31)29-20-11-8-17(9-12-20)26(32)30-13-3-4-18-15-28-22-5-2-6-23(30)24(18)22/h2,5-12,14-15,28H,3-4,13H2,1H3,(H,29,31)
PubChem CID44377837
ChEMBLCHEMBL166265
IUPHARN/A
BindingDB50125110
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
38655Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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