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Murcko scaffold

1,2-Dihydroisoquinoline scaffold

58 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
10
Chemicals
58
With full pages
3
Scaffold SMILES

C1=Cc2ccccc2CN1

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 scaffoldOpen the 1,2-Dihydroisoquinoline page
Murcko scaffold C1=Cc2ccccc2CN1

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 48 of 58 chemicals

Ethyl 1-cyano-2(1H)-isoquinolinecarboxylate chemical structure, C13H12N2O2, CAS 17954-22-2
Ethyl 1-cyano-2(1H)-isoquinolinecarboxylate
CAS 17954-22-2C13H12N2O2
2-Acetyl-1-cyano-1,2-dihydroisoquinoline chemical structure, C12H10N2O, CAS 29924-67-2
2-Acetyl-1-cyano-1,2-dihydroisoquinoline
CAS 29924-67-2C12H10N2O
s-Ethyl 1-cyanoisoquinoline-2(1H)-carbothioate chemical structure, C13H12N2OS, CAS 17954-38-0
s-Ethyl 1-cyanoisoquinoline-2(1H)-carbothioate
CAS 17954-38-0C13H12N2OS
2,2,2-Trichloroethyl 1-cyanoisoquinoline-2(1H)-carboxylate chemical structure, C13H9Cl3N2O2, CAS 17954-24-4
2,2,2-Trichloroethyl 1-cyanoisoquinoline-2(1H)-carboxylate
CAS 17954-24-4C13H9Cl3N2O2
Methyl 1-cyanoisoquinoline-2(1H)-carboxylate chemical structure, C12H10N2O2, CAS 17954-40-4
Methyl 1-cyanoisoquinoline-2(1H)-carboxylate
CAS 17954-40-4C12H10N2O2
1,2-Dimethyl-1,2-dihydroisoquinoline chemical structure, C11H13N, CAS 52162-76-2
1,2-Dimethyl-1,2-dihydroisoquinoline
CAS 52162-76-2C11H13N
2-Methyl-1,2-dihydroisoquinoline chemical structure, C10H11N, CAS 14990-40-0
2-Methyl-1,2-dihydroisoquinoline
CAS 14990-40-0C10H11N
2-(3-Chloropropanoyl)-1,2-dihydroisoquinoline-1-carbonitrile chemical structure, C13H11ClN2O, CAS 32409-95-3
2-(3-Chloropropanoyl)-1,2-dihydroisoquinoline-1-carbonitrile
CAS 32409-95-3C13H11ClN2O
Methyl 1-cyano-3-methylisoquinoline-2(1H)-carboxylate chemical structure, C13H12N2O2, CAS 65325-54-4
Methyl 1-cyano-3-methylisoquinoline-2(1H)-carboxylate
CAS 65325-54-4C13H12N2O2
1-Methoxy-1H-isoquinoline-2-carbonitrile chemical structure, C11H10N2O, CAS 830-59-1
1-Methoxy-1H-isoquinoline-2-carbonitrile
CAS 830-59-1C11H10N2O
1,2-Dihydroisoquinoline chemical structure, C9H9N, CAS 64973-79-1
1,2-Dihydroisoquinoline
CAS 64973-79-1C9H9N
Ethyl 1-cyano-1-methylisoquinoline-2-carboxylate chemical structure, C14H14N2O2, CAS 17954-28-8
Ethyl 1-cyano-1-methylisoquinoline-2-carboxylate
CAS 17954-28-8C14H14N2O2
2(1H)-Isoquinolinecarbothioic acid, 1-cyano-1-methyl-, S-ethyl ester chemical structure, C14H14N2OS, CAS 17954-39-1
2(1H)-Isoquinolinecarbothioic acid, 1-cyano-1-methyl-, S-ethyl ester
CAS 17954-39-1C14H14N2OS
(2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid chemical structure, C13H13NO3, CAS 58246-00-7
(2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid
CAS 58246-00-7C13H13NO3
1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy- chemical structure, C14H14N2O3, CAS 62172-59-2
1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy-
CAS 62172-59-2C14H14N2O3
2-Acryloyl-1,2-dihydroisoquinoline-1-carbonitrile chemical structure, C13H10N2O, CAS 53600-00-3
2-Acryloyl-1,2-dihydroisoquinoline-1-carbonitrile
CAS 53600-00-3C13H10N2O
Methyl 1-cyano-5-nitro-2(1H)-isoquinolinecarboxylate chemical structure, C12H9N3O4, CAS 65325-51-1
Methyl 1-cyano-5-nitro-2(1H)-isoquinolinecarboxylate
CAS 65325-51-1C12H9N3O4
2-tert-Butyl 3-ethyl isoquinoline-2,3(1H)-dicarboxylate chemical structure, C17H21NO4, CAS 298209-94-6
2-tert-Butyl 3-ethyl isoquinoline-2,3(1H)-dicarboxylate
CAS 298209-94-6C17H21NO4
Boc-1-tert-butoxy-1,2-dihydroisoquinoline chemical structure, C18H25NO3, CAS 404586-94-3
Boc-1-tert-butoxy-1,2-dihydroisoquinoline
CAS 404586-94-3C18H25NO3
2(1H)-Isoquinolinecarboxylic acid, methyl ester chemical structure, C11H11NO2, CAS 502790-73-0
2(1H)-Isoquinolinecarboxylic acid, methyl ester
CAS 502790-73-0C11H11NO2
Isoquinoline, 2-acetyl-1,2-dihydro-1-(2-oxopropyl)- chemical structure, C14H15NO2, CAS 58245-86-6
Isoquinoline, 2-acetyl-1,2-dihydro-1-(2-oxopropyl)-
CAS 58245-86-6C14H15NO2
Methyl 1-hydroxy-5-nitroisoquinoline-2(1H)-carboxylate chemical structure, C11H10N2O5, CAS 65325-48-6
Methyl 1-hydroxy-5-nitroisoquinoline-2(1H)-carboxylate
CAS 65325-48-6C11H10N2O5
1-(8-Chloroisoquinolin-2(1H)-yl)ethan-1-one chemical structure, C11H10ClNO, CAS 73261-81-1
1-(8-Chloroisoquinolin-2(1H)-yl)ethan-1-one
CAS 73261-81-1C11H10ClNO
1-(7-Chloroisoquinolin-2(1H)-yl)ethan-1-one chemical structure, C11H10ClNO, CAS 73261-82-2
1-(7-Chloroisoquinolin-2(1H)-yl)ethan-1-one
CAS 73261-82-2C11H10ClNO