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Ligand

NameCHEMBL74127
Molecular formulaC31H34Cl2N4O2
IUPAC nameN-[2-(3,4-dichlorophenyl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)azepan-1-yl]butyl]-N-methylbenzamide
Molecular weight565.539
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.2
SynonymsN-{2-(3,4-Dichloro-phenyl)-4-[4-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-azepan-1-yl]-butyl}-N-methyl-benzamide
BDBM50129524
N-[2-(3,4-Dichlorophenyl)-4-[4-(2-oxo-2,3-dihydro-1H-benzimidazole-1-yl)hexahydro-1H-azepine-1-yl]butyl]-N-methylbenzamide
Inchi KeyBCMOURGLNMDTBL-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H34Cl2N4O2/c1-35(30(38)22-8-3-2-4-9-22)21-24(23-13-14-26(32)27(33)20-23)15-18-36-17-7-10-25(16-19-36)37-29-12-6-5-11-28(29)34-31(37)39/h2-6,8-9,11-14,20,24-25H,7,10,15-19,21H2,1H3,(H,34,39)
PubChem CID44310139
ChEMBLCHEMBL74127
IUPHARN/A
BindingDB50129524
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20320Substance-K receptorP21452TACR2Homo sapiens (Human)398

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