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Murcko scaffold

Ring system with 3 rings and 15 atoms

22 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
15
Chemicals
22
With full pages
3
Scaffold SMILES

c1cc2c(cc1B1OCCO1)CCNC2

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 c1cc2c(cc1B1OCCO1)CCNC2

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 22 of 22 chemicals

2-(1,1-Dimethylethyl) 3-methyl 3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3(1H)-isoquinolinedicarboxylate chemical structure, C22H32BNO6, CAS 370881-51-9
2-(1,1-Dimethylethyl) 3-methyl 3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3(1H)-isoquinolinedicarboxylate
CAS 370881-51-9C22H32BNO6
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline chemical structure, C15H22BNO2, CAS 922718-55-6
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS 922718-55-6C15H22BNO2
2-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline chemical structure, C16H24BNO2, CAS 922718-57-8
2-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS 922718-57-8C16H24BNO2
tert-Butyl 2-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-YL)acetate chemical structure, C21H32BNO4, CAS 949922-33-2
tert-Butyl 2-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-YL)acetate
CAS 949922-33-2C21H32BNO4
(2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-6-yl)boronic acid pinacol ester chemical structure, C20H30BNO4, CAS 893566-72-8
(2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-6-yl)boronic acid pinacol ester
CAS 893566-72-8C20H30BNO4
1,1-Dimethylethyl 5-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate chemical structure, C21H32BNO4, CAS 1258440-71-9
1,1-Dimethylethyl 5-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate
CAS 1258440-71-9C21H32BNO4
2-O-tert-Butyl 3-O-ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate chemical structure, C23H34BNO6, CAS 897374-85-5
2-O-tert-Butyl 3-O-ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate
CAS 897374-85-5C23H34BNO6
1,1-Dimethylethyl 3,4-dihydro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-isoquinolinecarboxylate chemical structure, C21H32BNO4, CAS 1338097-01-0
1,1-Dimethylethyl 3,4-dihydro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-isoquinolinecarboxylate
CAS 1338097-01-0C21H32BNO4
1-(6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one chemical structure, C17H24BNO3, CAS 1181691-47-3
1-(6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
CAS 1181691-47-3C17H24BNO3
2-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride chemical structure, C16H25BClNO2, CAS 2379550-55-5
2-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS 2379550-55-5C16H25BClNO2
2-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinolin-4-ol chemical structure, C16H24BNO3, CAS 1613147-72-0
2-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinolin-4-ol
CAS 1613147-72-0C16H24BNO3
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride chemical structure, C15H23BClNO2, CAS 2828446-91-7
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS 2828446-91-7C15H23BClNO2
2-Boc-5-Fluoro-1,2,3,4-tetrahydro-isoquinoline-6-boronic acid pinacol ester chemical structure, C20H29BFNO4, CAS 2379561-01-8
2-Boc-5-Fluoro-1,2,3,4-tetrahydro-isoquinoline-6-boronic acid pinacol ester
CAS 2379561-01-8C20H29BFNO4
Methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-8-carboxylate chemical structure, C19H23BF3NO5, CAS 1942056-45-2
Methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-8-carboxylate
CAS 1942056-45-2C19H23BF3NO5
tert-Butyl 8-fluoro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate chemical structure, C20H29BFNO4, CAS 1613147-82-2
tert-Butyl 8-fluoro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
CAS 1613147-82-2C20H29BFNO4
7-Fluoro-6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl e chemical structure, C20H29BFNO4, CAS 2716849-29-3
7-Fluoro-6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl e
CAS 2716849-29-3C20H29BFNO4
7-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline chemical structure, C15H21BFNO2, CAS 2716849-13-5
7-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS 2716849-13-5C15H21BFNO2
7-Fluoro-6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1,2,3,4-tetrahydro-isoquinoline hydrochloride chemical structure, C15H22BClFNO2, CAS 2716849-14-6
7-Fluoro-6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1,2,3,4-tetrahydro-isoquinoline hydrochloride
CAS 2716849-14-6C15H22BClFNO2
2,8-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline chemical structure, C17H26BNO2, CAS 2578805-01-1
2,8-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS 2578805-01-1C17H26BNO2
8-Methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline chemical structure, C17H26BNO3, CAS 2578803-89-9
8-Methoxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline
CAS 2578803-89-9C17H26BNO3
2-Ethyl-1,2,3,4-tetrahydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline chemical structure, C17H26BNO2, CAS 1773496-22-2
2-Ethyl-1,2,3,4-tetrahydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
CAS 1773496-22-2C17H26BNO2
tert-Butyl 4,4-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate chemical structure, C20H28BF2NO4, CAS 2941404-75-5
tert-Butyl 4,4-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
CAS 2941404-75-5C20H28BF2NO4