Ligand

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Ligand Name:   2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide
HET ID:   E5H PubChem:   9405885
DrugBank:   - ChEMBL:   CHEMBL4277357
Canonical SMILES:   C1CCN(CC1)CCCNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3
Standard InChI:   InChI=1S/C22H28N2O2/c25-22(23-14-7-17-24-15-5-2-6-16-24)18-26-21-12-10-20(11-13-21)19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-18H2,(H,23,25)
Molecular Formula:   C22H28N2O2 Mol. Weight:   352.4699 Heavy Atoms:   26
Charge:   0 Is Chiral:   False logP:   4.0534
HBD:   1 HBA:   4 TPSA:   41.57
#Bonds:   28 #Rotatable Bonds:   9 Shape Complexity:   0.4090909
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 6FSD
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