6SAM-cpd13

Type : Multitarget,Piperidine,Inden,Monoamine-oxidase-inhibitor,Carbamate

Chemical_Nomenclature : 1-(2,3-dihydro-1H-inden2-yl)piperidin-3-yl N-phenyl carbamate || [(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl] N-phenylcarbamate

Canonical SMILES : C1=CC2=C(C=C1)CC(C2)N3CCCC(C3)OC(NC4=CC=CC=C4)=O || C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)OC(=O)NC4=CC=CC=C4

InChI : InChI=1S\/C21H24N2O2\/c24-21(22-18-9-2-1-3-10-18)25-20-11-6-12-23(15-20)19-13-16-7-4-5-8-17(16)14-19\/h1-5,7-10,19-20H,6,11-15H2,(H,22,24) || InChI=1S\/C21H24N2O2\/c24-21(22-18-9-2-1-3-10-18)25-20-11-6-12-23(15-20)19-13-16-7-4-5-8-17(16)14-19\/h1-5,7-10,19-20H,6,11-15H2,(H,22,24)\/p+1\/t20-\/m0\/s1

InChIKey : ISMYNYFEVMBAEI-UHFFFAOYSA-N || ISMYNYFEVMBAEI-FQEVSTJZSA-O

Other name(s) : L3H

MW : 336.43 || 337.4

Formula : C21H24N2O2 || C21H25N2O2+

CAS_number :

PubChem : 146035902

UniChem : ISMYNYFEVMBAEI-UHFFFAOYSA-N || ISMYNYFEVMBAEI-FQEVSTJZSA-O

IUPHAR :

Wikipedia :

Families : 6SAM-cpd13 ligand of proteins in family: BCHE

Stucture : 6SAM Structure of human butyrylcholinesterase in complex with 1-(2,3-dihydro-1H-inden2-yl)piperidin-3-yl N-phenyl carbamate

Protein : human-BCHE