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Murcko scaffold

Ring system with 3 rings and 26 atoms

157 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
26
Chemicals
157
With full pages
5
Scaffold SMILES

O=C(CSc1nnc(CC(=O)Nc2ccccc2)[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(CC(=O)Nc2ccccc2)[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 48 of 157 chemicals

Methyl 4-({[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate chemical structure, C23H24ClN5O4S, CAS 767325-48-4
Methyl 4-({[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
CAS 767325-48-4C23H24ClN5O4S
N-(3-Chloro-4-methylphenyl)-2-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetamide chemical structure, C20H19ClFN5O2S, CAS 767325-96-2
N-(3-Chloro-4-methylphenyl)-2-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetamide
CAS 767325-96-2C20H19ClFN5O2S
N-(3-Chloro-4-methylphenyl)-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide chemical structure, C23H24ClN5O2S, CAS 767324-28-7
N-(3-Chloro-4-methylphenyl)-2-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide
CAS 767324-28-7C23H24ClN5O2S
N-(2,3-Dichlorophenyl)-2-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetamide chemical structure, C19H16Cl2FN5O2S, CAS 832105-89-2
N-(2,3-Dichlorophenyl)-2-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetamide
CAS 832105-89-2C19H16Cl2FN5O2S
2-[5-[2-(3-Bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide chemical structure, C19H18BrN5O2S, CAS 713490-86-9
2-[5-[2-(3-Bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide
CAS 713490-86-9C19H18BrN5O2S
2-[5-[2-(3-Bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide chemical structure, C20H20BrN5O3S, CAS 713491-58-8
2-[5-[2-(3-Bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide
CAS 713491-58-8C20H20BrN5O3S
Methyl 4-[({[4-methyl-5-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate chemical structure, C22H20F3N5O4S, CAS 713504-72-4
Methyl 4-[({[4-methyl-5-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
CAS 713504-72-4C22H20F3N5O4S
2-[5-(2-Anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide chemical structure, C20H20FN5O2S, CAS 714209-70-8
2-[5-(2-Anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide
CAS 714209-70-8C20H20FN5O2S
N-(3-Chloro-4-methylphenyl)-2-[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide chemical structure, C23H24ClN5O2S, CAS 717864-11-4
N-(3-Chloro-4-methylphenyl)-2-[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide
CAS 717864-11-4C23H24ClN5O2S
2-[5-[2-(2,5-Dichloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide chemical structure, C19H17Cl2N5O2S, CAS 701283-18-3
2-[5-[2-(2,5-Dichloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide
CAS 701283-18-3C19H17Cl2N5O2S
N-(3,4-Dichlorophenyl)-2-[5-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetamide chemical structure, C22H23Cl2N5O2S, CAS 701924-80-3
N-(3,4-Dichlorophenyl)-2-[5-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetamide
CAS 701924-80-3C22H23Cl2N5O2S
2-[5-[2-(2-Methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide chemical structure, C20H21N5O3S, CAS 701925-21-5
2-[5-[2-(2-Methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide
CAS 701925-21-5C20H21N5O3S
2-[5-[2-(4-Bromo-2-propan-2-ylanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(4-methylphenyl)acetamide chemical structure, C24H28BrN5O2S, CAS 701932-28-7
2-[5-[2-(4-Bromo-2-propan-2-ylanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(4-methylphenyl)acetamide
CAS 701932-28-7C24H28BrN5O2S
2-[5-[2-(4-Iodoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide chemical structure, C19H18IN5O2S, CAS 701948-36-9
2-[5-[2-(4-Iodoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide
CAS 701948-36-9C19H18IN5O2S
2-[4-Methyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-methylphenyl)acetamide chemical structure, C21H23N5O2S2, CAS 708224-14-0
2-[4-Methyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-methylphenyl)acetamide
CAS 708224-14-0C21H23N5O2S2
2-[5-[2-(5-Fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide chemical structure, C21H22FN5O3S, CAS 709000-89-5
2-[5-[2-(5-Fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide
CAS 709000-89-5C21H22FN5O3S
2-[5-[2-(3-Chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(3,4-dichlorophenyl)acetamide chemical structure, C20H17Cl3FN5O2S, CAS 701274-86-4
2-[5-[2-(3-Chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(3,4-dichlorophenyl)acetamide
CAS 701274-86-4C20H17Cl3FN5O2S
Ethyl 4-{[({4-methyl-5-[2-oxo-2-(phenylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate chemical structure, C22H23N5O4S, CAS 701280-92-4
Ethyl 4-{[({4-methyl-5-[2-oxo-2-(phenylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
CAS 701280-92-4C22H23N5O4S
N-(3,4-Dichlorophenyl)-2-[4-ethyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide chemical structure, C21H21Cl2N5O2S2, CAS 701282-16-8
N-(3,4-Dichlorophenyl)-2-[4-ethyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
CAS 701282-16-8C21H21Cl2N5O2S2
2-[5-[2-(2-Bromo-4,6-difluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3,4-dichlorophenyl)acetamide chemical structure, C19H14BrCl2F2N5O2S, CAS 701282-22-6
2-[5-[2-(2-Bromo-4,6-difluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3,4-dichlorophenyl)acetamide
CAS 701282-22-6C19H14BrCl2F2N5O2S
2-[4-Methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylacetamide chemical structure, C20H20N6O4S, CAS 701925-64-6
2-[4-Methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylacetamide
CAS 701925-64-6C20H20N6O4S
N-(3,4-Dichlorophenyl)-2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide chemical structure, C22H23Cl2N5O3S, CAS 701925-97-5
N-(3,4-Dichlorophenyl)-2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide
CAS 701925-97-5C22H23Cl2N5O3S
2-[5-[2-(4-Bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide chemical structure, C20H20BrN5O2S, CAS 792941-52-7
2-[5-[2-(4-Bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide
CAS 792941-52-7C20H20BrN5O2S
Methyl 2-[({[5-(2-anilino-2-oxoethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]benzoate chemical structure, C22H23N5O4S, CAS 701946-59-0
Methyl 2-[({[5-(2-anilino-2-oxoethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]benzoate
CAS 701946-59-0C22H23N5O4S