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Murcko scaffold

Ring system with 4 rings and 16 atoms

220 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
16
Chemicals
220
With full pages
46
Scaffold SMILES

c1cc2c3c(c[nH]c3c1)CC1NCCCC21

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 c1cc2c3c(c[nH]c3c1)CC1NCCCC21

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 220 chemicals

N-[3-(Dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide chemical structure, C26H37N5O2, CAS 1426173-20-7
N-[3-(Dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CAS 1426173-20-7C26H37N5O2
Pergolide chemical structure, C19H26N2S, CAS 66104-22-1
Pergolide
CAS 66104-22-1C19H26N2S
Cabergoline chemical structure, C26H37N5O2, CAS 81409-90-7
Cabergoline
CAS 81409-90-7C26H37N5O2
Sdz 208-912 chemical structure, C20H26ClN3O, CAS 101000-49-1
Sdz 208-912
CAS 101000-49-1C20H26ClN3O
Disulergine chemical structure, C17H24N4O2S, CAS 59032-40-5
Disulergine
CAS 59032-40-5C17H24N4O2S
Etisulergine chemical structure, C19H28N4O2S, CAS 64795-23-9
Etisulergine
CAS 64795-23-9C19H28N4O2S
Mesulergine chemical structure, C18H26N4O2S, CAS 64795-35-3
Mesulergine
CAS 64795-35-3C18H26N4O2S
N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide chemical structure, C18H23N3O, CAS 3031-48-9
N-(((8beta)-6-Methylergolin-8-yl)methyl)acetamide
CAS 3031-48-9C18H23N3O
Cianergoline chemical structure, C19H22N4O, CAS 74627-35-3
Cianergoline
CAS 74627-35-3C19H22N4O
Proterguride chemical structure, C22H32N4O, CAS 77650-95-4
Proterguride
CAS 77650-95-4C22H32N4O
Ergoline-1-methanol, 6,8-dimethyl-, (8-beta)- chemical structure, C17H22N2O, CAS 89930-64-3
Ergoline-1-methanol, 6,8-dimethyl-, (8-beta)-
CAS 89930-64-3C17H22N2O
Ergoline-8-carboxamide, N-butyl-6-methyl-, (8-beta)- chemical structure, C20H27N3O, CAS 50504-27-3
Ergoline-8-carboxamide, N-butyl-6-methyl-, (8-beta)-
CAS 50504-27-3C20H27N3O
Ergoline, 1,6,8-trimethyl-, (8-beta)- chemical structure, C17H22N2, CAS 81967-87-5
Ergoline, 1,6,8-trimethyl-, (8-beta)-
CAS 81967-87-5C17H22N2
Isofumigaclavine B chemical structure, C16H20N2O, CAS 58800-20-7
Isofumigaclavine B
CAS 58800-20-7C16H20N2O
Propionamide, N-((6-methyl-8-beta-ergolinyl)methyl)- chemical structure, C19H25N3O, CAS 1878-02-0
Propionamide, N-((6-methyl-8-beta-ergolinyl)methyl)-
CAS 1878-02-0C19H25N3O
Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester chemical structure, C20H27N3O2, CAS 1933-68-2
Carbamic acid, ((1,6-dimethyl-8-beta-ergolinyl)methyl)-, ethyl ester
CAS 1933-68-2C20H27N3O2
Cqp 201-403 chemical structure, C21H32N4O2S, CAS 104317-90-0
Cqp 201-403
CAS 104317-90-0C21H32N4O2S
N,N-Diacetoxyethyl 9,10-dihydrolysergic acid amide chemical structure, C24H31N3O5, CAS 109002-91-7
N,N-Diacetoxyethyl 9,10-dihydrolysergic acid amide
CAS 109002-91-7C24H31N3O5
6-Methyl-8 alpha-N-methylsulfamoylaminoergoline chemical structure, C16H22N4O2S, CAS 88374-72-5
6-Methyl-8 alpha-N-methylsulfamoylaminoergoline
CAS 88374-72-5C16H22N4O2S
17-Bromofestuclavine chemical structure, C16H19BrN2, CAS 52517-34-7
17-Bromofestuclavine
CAS 52517-34-7C16H19BrN2
N-(2,6-Dimethylergoline-8-yl)-2,2-dimethylpropanamide chemical structure, C21H29N3O, CAS 120478-64-0
N-(2,6-Dimethylergoline-8-yl)-2,2-dimethylpropanamide
CAS 120478-64-0C21H29N3O
CM 29-712 chemical structure, C17H19N3, CAS 18051-18-8
CM 29-712
CAS 18051-18-8C17H19N3
(8beta,10beta)-6,8-Dimethylergoline chemical structure, C16H20N2, CAS 436-41-9
(8beta,10beta)-6,8-Dimethylergoline
CAS 436-41-9C16H20N2
6-Nor-9,10-dihydrolysergic acid methyl ester chemical structure, C16H18N2O2, CAS 30341-92-5
6-Nor-9,10-dihydrolysergic acid methyl ester
CAS 30341-92-5C16H18N2O2