Ligand

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Ligand Name:   1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
HET ID:   E5K PubChem:   134822020
DrugBank:   - ChEMBL:   CHEMBL4284619
Canonical SMILES:   CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)C
Standard InChI:   InChI=1S/C20H31N3O2/c1-3-21-12-14-22(15-13-21)18-8-10-23(11-9-18)20(24)16-25-19-6-4-17(2)5-7-19/h4-7,18H,3,8-16H2,1-2H3
Molecular Formula:   C20H31N3O2 Mol. Weight:   345.47903 Heavy Atoms:   25
Charge:   0 Is Chiral:   False logP:   1.816
HBD:   0 HBA:   5 TPSA:   36.02
#Bonds:   27 #Rotatable Bonds:   6 Shape Complexity:   0.65
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Acetylcholinesterase P21836 (ACES_MOUSE) Mus musculus 6FSE
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