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Ligand

NameCHEMBL2043430
Molecular formulaC22H17N3O3
IUPAC nameN-[3-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Molecular weight371.396
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50385637
F0882-0550
SMSF0011414
CBMicro_013089
N-(3-(1H-benzo[d]imidazol-2-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
[ Show all ]
Inchi KeyGFIVAICXNHIFGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H17N3O3/c26-22(15-8-9-19-20(13-15)28-11-10-27-19)23-16-5-3-4-14(12-16)21-24-17-6-1-2-7-18(17)25-21/h1-9,12-13H,10-11H2,(H,23,26)(H,24,25)
PubChem CID2880709
ChEMBLCHEMBL2043430
IUPHARN/A
BindingDB50385637
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
95111Smoothened homologP56726SmoMus musculus (Mouse)793

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