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Murcko scaffold

Ring system with 4 rings and 27 atoms

38 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
27
Chemicals
38
With full pages
20
Scaffold SMILES

O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)[nH]1)Nc1ccccc1

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=C(CSc1nnc(Cn2c(=O)sc3ccccc32)[nH]1)Nc1ccccc1

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 38 of 38 chemicals

N-(3-Methoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C20H19N5O3S2, CAS 847400-39-9
N-(3-Methoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-39-9C20H19N5O3S2
N-(2-Methoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C20H19N5O3S2, CAS 847400-38-8
N-(2-Methoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-38-8C20H19N5O3S2
N-(4-Methoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C20H19N5O3S2, CAS 847400-40-2
N-(4-Methoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-40-2C20H19N5O3S2
2-((4-Methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide chemical structure, C19H17N5O2S2, CAS 847400-18-4
2-((4-Methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
CAS 847400-18-4C19H17N5O2S2
N-(2-Ethoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C21H21N5O3S2, CAS 847400-41-3
N-(2-Ethoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-41-3C21H21N5O3S2
2-((4-Methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide chemical structure, C20H19N5O2S2, CAS 847400-21-9
2-((4-Methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide
CAS 847400-21-9C20H19N5O2S2
N-(4-Ethoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C21H21N5O3S2, CAS 847400-42-4
N-(4-Ethoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-42-4C21H21N5O3S2
N-(3-Chloro-4-methylphenyl)-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide chemical structure, C20H18ClN5O2S2, CAS 847400-36-6
N-(3-Chloro-4-methylphenyl)-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS 847400-36-6C20H18ClN5O2S2
N-(5-Chloro-2-methoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C20H18ClN5O3S2, CAS 847400-37-7
N-(5-Chloro-2-methoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-37-7C20H18ClN5O3S2
N-(3-Fluorophenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C19H16FN5O2S2, CAS 847400-30-0
N-(3-Fluorophenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-30-0C19H16FN5O2S2
Ethyl 4-[[2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate chemical structure, C22H21N5O4S2, CAS 847400-52-6
Ethyl 4-[[2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CAS 847400-52-6C22H21N5O4S2
N-(2-Fluorophenyl)-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide chemical structure, C19H16FN5O2S2, CAS 847400-29-7
N-(2-Fluorophenyl)-2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS 847400-29-7C19H16FN5O2S2
N-(4-Fluorophenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C19H16FN5O2S2, CAS 847400-31-1
N-(4-Fluorophenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-31-1C19H16FN5O2S2
N-(4-Acetylphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C21H19N5O3S2, CAS 847400-54-8
N-(4-Acetylphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-54-8C21H19N5O3S2
N-(3-Chlorophenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C19H16ClN5O2S2, CAS 847400-32-2
N-(3-Chlorophenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-32-2C19H16ClN5O2S2
N-(4-Chlorophenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C19H16ClN5O2S2, CAS 847400-33-3
N-(4-Chlorophenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-33-3C19H16ClN5O2S2
N-(2,4-Dimethoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C21H21N5O4S2, CAS 847400-43-5
N-(2,4-Dimethoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-43-5C21H21N5O4S2
N-(2,5-Dimethoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C21H21N5O4S2, CAS 847400-44-6
N-(2,5-Dimethoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-44-6C21H21N5O4S2
N-(3,4-Dimethoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C21H21N5O4S2, CAS 847400-45-7
N-(3,4-Dimethoxyphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-45-7C21H21N5O4S2
N-(3,5-Dimethylphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C21H21N5O2S2, CAS 847400-25-3
N-(3,5-Dimethylphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-25-3C21H21N5O2S2
N-(4-Ethylphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C21H21N5O2S2, CAS 847400-27-5
N-(4-Ethylphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-27-5C21H21N5O2S2
2-((4-Methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(o-tolyl)acetamide chemical structure, C20H19N5O2S2, CAS 847400-19-5
2-((4-Methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(o-tolyl)acetamide
CAS 847400-19-5C20H19N5O2S2
2-((4-Methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide chemical structure, C20H19N5O2S2, CAS 847400-20-8
2-((4-Methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide
CAS 847400-20-8C20H19N5O2S2
N-(2,3-Dimethylphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C21H21N5O2S2, CAS 847400-22-0
N-(2,3-Dimethylphenyl)-2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CAS 847400-22-0C21H21N5O2S2