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Murcko scaffold

Ring system with 2 rings and 11 atoms

17 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
11
Chemicals
17
With full pages
5
Scaffold SMILES

N=C1NCCc2ccccc21

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold N=C1NCCc2ccccc21

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 17 of 17 chemicals

1(2H)-Isoquinolinone, 3,4-dihydro-6,7-dimethoxy-, hydrazone, monohydrochloride chemical structure, C11H16ClN3O2, CAS 78915-33-0
1(2H)-Isoquinolinone, 3,4-dihydro-6,7-dimethoxy-, hydrazone, monohydrochloride
CAS 78915-33-0C11H16ClN3O2
tert-Butyl 1-imino-3,4-dihydroisoquinoline-2-carboxylate chemical structure, C14H18N2O2, CAS 1820587-05-0
tert-Butyl 1-imino-3,4-dihydroisoquinoline-2-carboxylate
CAS 1820587-05-0C14H18N2O2
Hexanoic acid, 6-((3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)amino)- chemical structure, C17H24N2O2, CAS 187884-88-4
Hexanoic acid, 6-((3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)amino)-
CAS 187884-88-4C17H24N2O2
N-(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)leucine chemical structure, C17H24N2O2, CAS 537049-20-0
N-(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)leucine
CAS 537049-20-0C17H24N2O2
6-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylamino)-hexanoic acid oxalate chemical structure, C19H26N2O6, CAS 1185294-38-5
6-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylamino)-hexanoic acid oxalate
CAS 1185294-38-5C19H26N2O6
beta-Alanine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)- chemical structure, C14H18N2O2, CAS 187884-87-3
beta-Alanine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS 187884-87-3C14H18N2O2
N-(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)alanine chemical structure, C14H18N2O2, CAS 537049-19-7
N-(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)alanine
CAS 537049-19-7C14H18N2O2
L-Isoleucine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)- chemical structure, C17H24N2O2, CAS 187884-89-5
L-Isoleucine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS 187884-89-5C17H24N2O2
N-(3,3-Dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)isoleucine chemical structure, C17H24N2O2, CAS 187884-92-0
N-(3,3-Dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)isoleucine
CAS 187884-92-0C17H24N2O2
L-Methionine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)- chemical structure, C16H22N2O2S, CAS 187884-93-1
L-Methionine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS 187884-93-1C16H22N2O2S
Glycine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)- chemical structure, C13H16N2O2, CAS 187884-86-2
Glycine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS 187884-86-2C13H16N2O2
L-Alanine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)- chemical structure, C14H18N2O2, CAS 187884-90-8
L-Alanine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS 187884-90-8C14H18N2O2
Butanoic acid, 4-(3,4-dihydro-3,3-dimethyl-1-isoquinolinylamino)- chemical structure, C15H20N2O2, CAS 381681-39-6
Butanoic acid, 4-(3,4-dihydro-3,3-dimethyl-1-isoquinolinylamino)-
CAS 381681-39-6C15H20N2O2
(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)-D-alanine chemical structure, C14H18N2O2, CAS 1618673-62-3
(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)-D-alanine
CAS 1618673-62-3C14H18N2O2
(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylamino)-acetic acid hydrochloride chemical structure, C13H17ClN2O2, CAS 1185301-86-3
(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylamino)-acetic acid hydrochloride
CAS 1185301-86-3C13H17ClN2O2
N,3,3-trimethyl-3,4-dihydroisoquinolin-1-amine chemical structure, C12H16N2, CAS 1095268-14-6
N,3,3-trimethyl-3,4-dihydroisoquinolin-1-amine
CAS 1095268-14-6C12H16N2
N,3,3-trimethyl-3,4-dihydroisoquinolin-1-amine trifluoromethanesulfonate chemical structure, C13H17F3N2O3S, CAS 1095268-15-7
N,3,3-trimethyl-3,4-dihydroisoquinolin-1-amine trifluoromethanesulfonate
CAS 1095268-15-7C13H17F3N2O3S