CompoundList
Sign in
Murcko scaffold

Ring system with 3 rings and 18 atoms

23 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
23
With full pages
2
Scaffold SMILES

O=C1CSC(c2ccccc2)c2c([nH][nH]c2=O)N1

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 O=C1CSC(c2ccccc2)c2c([nH][nH]c2=O)N1

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 23 of 23 chemicals

1-Butan-2-yl-4-(4-propan-2-yloxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C19H25N3O3S, CAS 692261-47-5
1-Butan-2-yl-4-(4-propan-2-yloxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 692261-47-5C19H25N3O3S
1-Butan-2-yl-4-(2,4-dichlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C16H17Cl2N3O2S, CAS 667909-58-2
1-Butan-2-yl-4-(2,4-dichlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 667909-58-2C16H17Cl2N3O2S
4-(4-Nitrophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C15H16N4O4S, CAS 692263-44-8
4-(4-Nitrophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 692263-44-8C15H16N4O4S
1-Butan-2-yl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C16H18N4O4S, CAS 692269-17-3
1-Butan-2-yl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 692269-17-3C16H18N4O4S
4-(3-Nitrophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C15H16N4O4S, CAS 692273-01-1
4-(3-Nitrophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 692273-01-1C15H16N4O4S
4-(3,4-Dimethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C17H21N3O4S, CAS 692274-64-9
4-(3,4-Dimethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 692274-64-9C17H21N3O4S
1-Butan-2-yl-4-(4-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C16H18N4O4S, CAS 692280-51-6
1-Butan-2-yl-4-(4-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 692280-51-6C16H18N4O4S
4-(2,4-Dichlorophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C17H19Cl2N3O2S, CAS 586989-03-9
4-(2,4-Dichlorophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 586989-03-9C17H19Cl2N3O2S
4-(3-Nitrophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C17H20N4O4S, CAS 672921-12-9
4-(3-Nitrophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 672921-12-9C17H20N4O4S
4-(4-Methylphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C16H19N3O2S, CAS 579446-67-6
4-(4-Methylphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 579446-67-6C16H19N3O2S
4-(4-Bromophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C17H20BrN3O2S, CAS 577984-63-5
4-(4-Bromophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 577984-63-5C17H20BrN3O2S
1-Butan-2-yl-4-(4-fluorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C16H18FN3O2S, CAS 672913-64-3
1-Butan-2-yl-4-(4-fluorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 672913-64-3C16H18FN3O2S
1-Butan-2-yl-4-(4-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C18H23N3O3S, CAS 578701-16-3
1-Butan-2-yl-4-(4-ethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 578701-16-3C18H23N3O3S
4-(3,4-Dimethoxyphenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C19H25N3O4S, CAS 578759-64-5
4-(3,4-Dimethoxyphenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 578759-64-5C19H25N3O4S
4-Phenyl-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C15H17N3O2S, CAS 692280-87-8
4-Phenyl-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 692280-87-8C15H17N3O2S
4-[4-(Dimethylamino)phenyl]-3-hydroxy-1-(pentan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one chemical structure, C19H26N4O2S, CAS 573697-99-1
4-[4-(Dimethylamino)phenyl]-3-hydroxy-1-(pentan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
CAS 573697-99-1C19H26N4O2S
1-Pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C17H21N3O2S, CAS 577761-84-3
1-Pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 577761-84-3C17H21N3O2S
4-(4-Chlorophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C17H20ClN3O2S, CAS 674353-11-8
4-(4-Chlorophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 674353-11-8C17H20ClN3O2S
4-[4-(Dimethylamino)phenyl]-1-(ethylpropyl)-3-hydroxy-4H,6H,8H-pyrazolo[5,4-e] 1,4-thiazepin-7-one chemical structure, C19H26N4O2S, CAS 575463-08-0
4-[4-(Dimethylamino)phenyl]-1-(ethylpropyl)-3-hydroxy-4H,6H,8H-pyrazolo[5,4-e] 1,4-thiazepin-7-one
CAS 575463-08-0C19H26N4O2S
4-(4-Fluorophenyl)-1-pentan-3-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C17H20FN3O2S, CAS 579441-31-9
4-(4-Fluorophenyl)-1-pentan-3-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 579441-31-9C17H20FN3O2S
4-(4-Fluorophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C17H20FN3O2S, CAS 577987-46-3
4-(4-Fluorophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 577987-46-3C17H20FN3O2S
4-(4-Fluorophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione chemical structure, C15H16FN3O2S, CAS 674352-90-0
4-(4-Fluorophenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS 674352-90-0C15H16FN3O2S
{2-[7-Hydroxy-3-oxo-1-(propan-2-yl)-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetic acid chemical structure, C17H19N3O5S, CAS 1435905-35-3
{2-[7-Hydroxy-3-oxo-1-(propan-2-yl)-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetic acid
CAS 1435905-35-3C17H19N3O5S