Type : Acridine, Quinoline, Derivative of Propidium, Derivative of Tacrine, Alkyl linked bis-ligand, Triazol
Chemical_Nomenclature : N-[2-[5-[5-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]pentyl]triazol-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine || N-[2-[5-[5-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]pentyl]triazol-1-yl]ethyl]-1,2,3,4-tetrahydroacridin-9-amine
Canonical SMILES : COC1=C(C=C2C(N(CCC2=C1)CCCCCC3=CN=NN3CCNC4=C5CCCCC5=NC6=CC=CC=C64)C7=CC=CC=C7)OC
InChI : InChI=1S\/C39H46N6O2\/c1-46-36-25-29-20-23-44(39(28-13-5-3-6-14-28)33(29)26-37(36)47-2)22-12-4-7-15-30-27-41-43-45(30)24-21-40-38-31-16-8-10-18-34(31)42-35-19-11-9-17-32(35)38\/h3,5-6,8,10,13-14,16,18,25-27,39H,4,7,9,11-12,15,17,19-24H2,1-2H3,(H,40,42)\/t39-\/m0\/s1 || InChI=1S\/C39H46N6O2\/c1-46-36-25-29-20-23-44(39(28-13-5-3-6-14-28)33(29)26-37(36)47-2)22-12-4-7-15-30-27-41-43-45(30)24-21-40-38-31-16-8-10-18-34(31)42-35-19-11-9-17-32(35)38\/h3,5-6,8,10,13-14,16,18,25-27,39H,4,7,9,11-12,15,17,19-24H2,1-2H3,(H,40,42)\/t39-\/m1\/s1
InChIKey : ITAOAYUEHIWYBK-KDXMTYKHSA-N || ITAOAYUEHIWYBK-LDLOPFEMSA-N
Other name(s) : CHEMBL4246013 || BDBM50462581 || CHEMBL4243833 || BDBM50462577
MW : 630.8
Formula : C39H46N6O2
CAS_number :
UniChem : ITAOAYUEHIWYBK-KDXMTYKHSA-N, ITAOAYUEHIWYBK-LDLOPFEMSA-N
Families : TZ2PIQA5 ligand of proteins in family
ACHE
Protein :
mouse-ACHE
Title : Probing gorge dimensions of cholinesterases by freeze-frame click chemistry - Radic_2008_Chem.Biol.Interact_175_161 |
Author(s) : Radic Z , Manetsch R , Fournier D , Sharpless KB , Taylor P |
Ref : Chemico-Biological Interactions , 175 :161 , 2008 |
Abstract : |
PubMedSearch : Radic_2008_Chem.Biol.Interact_175_161 |
PubMedID: 18555981 |