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Murcko scaffold

Ring system with 3 rings and 20 atoms

12 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
12
With full pages
3
Scaffold SMILES

N=C1NC(=O)C(CC(=O)Nc2cc3c(s2)CCCC3)S1

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=C1NC(=O)C(CC(=O)Nc2cc3c(s2)CCCC3)S1

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 12 of 12 chemicals

N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-{3-ethyl-2-[(Z)-ethylimino]-4-oxo-thiazolidin-5-yl}-acetamide chemical structure, C18H22N4O2S2, CAS 1164465-01-3
N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-{3-ethyl-2-[(Z)-ethylimino]-4-oxo-thiazolidin-5-yl}-acetamide
CAS 1164465-01-3C18H22N4O2S2
N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-{3-methyl-2-[(Z)-methylimino]-4-oxo-thiazolidin-5-yl}-acetamide chemical structure, C16H18N4O2S2, CAS 1164483-76-4
N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-{3-methyl-2-[(Z)-methylimino]-4-oxo-thiazolidin-5-yl}-acetamide
CAS 1164483-76-4C16H18N4O2S2
(E)-Ethyl 2-(2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C18H23N3O4S2, CAS 314279-06-6
(E)-Ethyl 2-(2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 314279-06-6C18H23N3O4S2
(E)-Ethyl 6-methyl-2-(2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C19H25N3O4S2, CAS 691377-78-3
(E)-Ethyl 6-methyl-2-(2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 691377-78-3C19H25N3O4S2
(E)-Methyl 2-(2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C20H27N3O4S2, CAS 691377-81-8
(E)-Methyl 2-(2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 691377-81-8C20H27N3O4S2
(E)-Methyl 2-(2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C19H25N3O4S2, CAS 442564-75-2
(E)-Methyl 2-(2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 442564-75-2C19H25N3O4S2
(E)-Ethyl 2-(2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C20H27N3O4S2, CAS 442653-74-9
(E)-Ethyl 2-(2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 442653-74-9C20H27N3O4S2
Methyl 2-[[2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C17H21N3O4S2, CAS 442564-67-2
Methyl 2-[[2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 442564-67-2C17H21N3O4S2
(E)-Methyl 6-methyl-2-(2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C18H23N3O4S2, CAS 514182-75-3
(E)-Methyl 6-methyl-2-(2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 514182-75-3C18H23N3O4S2
Ethyl 2-[2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C16H19N3O4S2, CAS 305373-14-2
Ethyl 2-[2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 305373-14-2C16H19N3O4S2
2-[[2-(2-Amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester chemical structure, C19H25N3O4S2, CAS 514182-05-9
2-[[2-(2-Amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
CAS 514182-05-9C19H25N3O4S2
tert-Butyl 2-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C18H23N3O4S2, CAS 1832671-21-2
tert-Butyl 2-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 1832671-21-2C18H23N3O4S2