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Murcko scaffold

Ring system with 3 rings and 27 atoms

33 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
27
Chemicals
33
With full pages
3
Scaffold SMILES

O=C(Cc1ccccc1)NCc1nnc(SCC(=O)Nc2ccccc2)[nH]1

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(Cc1ccccc1)NCc1nnc(SCC(=O)Nc2ccccc2)[nH]1

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 33 of 33 chemicals

2-(4-Methoxyphenyl)-N-[[4-methyl-5-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide chemical structure, C21H20Cl3N5O3S, CAS 701287-21-0
2-(4-Methoxyphenyl)-N-[[4-methyl-5-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide
CAS 701287-21-0C21H20Cl3N5O3S
N-[[5-(2-Anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide chemical structure, C21H23N5O3S, CAS 692771-27-0
N-[[5-(2-Anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CAS 692771-27-0C21H23N5O3S
2-{[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide chemical structure, C23H26FN5O3S, CAS 692773-73-2
2-{[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide
CAS 692773-73-2C23H26FN5O3S
N-(4-Bromo-3-methylphenyl)-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide chemical structure, C23H26BrN5O3S, CAS 693235-77-7
N-(4-Bromo-3-methylphenyl)-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CAS 693235-77-7C23H26BrN5O3S
N-[[5-[2-(2-Bromo-4,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide chemical structure, C23H26BrN5O3S, CAS 693236-33-8
N-[[5-[2-(2-Bromo-4,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CAS 693236-33-8C23H26BrN5O3S
N-(2,3-Dichlorophenyl)-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide chemical structure, C22H23Cl2N5O3S, CAS 692774-12-2
N-(2,3-Dichlorophenyl)-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CAS 692774-12-2C22H23Cl2N5O3S
2-{[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-iodo-2,6-dimethylphenyl)acetamide chemical structure, C24H28IN5O3S, CAS 692775-28-3
2-{[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-iodo-2,6-dimethylphenyl)acetamide
CAS 692775-28-3C24H28IN5O3S
2-(4-Methoxyphenyl)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide chemical structure, C22H24N6O5S, CAS 693233-76-0
2-(4-Methoxyphenyl)-N-[[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide
CAS 693233-76-0C22H24N6O5S
2-{[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-iodo-2-methylphenyl)acetamide chemical structure, C23H26IN5O3S, CAS 693240-47-0
2-{[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-iodo-2-methylphenyl)acetamide
CAS 693240-47-0C23H26IN5O3S
2-(4-Methoxyphenyl)-N-[[4-methyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide chemical structure, C22H22F3N5O3S, CAS 701945-62-2
2-(4-Methoxyphenyl)-N-[[4-methyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide
CAS 701945-62-2C22H22F3N5O3S
N-[[5-[2-(4-Bromo-2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide chemical structure, C23H26BrN5O3S, CAS 701953-14-2
N-[[5-[2-(4-Bromo-2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CAS 701953-14-2C23H26BrN5O3S
2-(4-Methoxyphenyl)-N-[[4-methyl-5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide chemical structure, C24H29N5O3S, CAS 708245-59-4
2-(4-Methoxyphenyl)-N-[[4-methyl-5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]acetamide
CAS 708245-59-4C24H29N5O3S
2-{[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide chemical structure, C22H24N6O5S, CAS 692774-83-7
2-{[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
CAS 692774-83-7C22H24N6O5S
N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide chemical structure, C23H23ClF3N5O3S, CAS 693254-38-5
N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CAS 693254-38-5C23H23ClF3N5O3S
Methyl 4-[({[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate chemical structure, C24H27N5O5S, CAS 693255-17-3
Methyl 4-[({[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
CAS 693255-17-3C24H27N5O5S
4-[({[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid chemical structure, C23H25N5O5S, CAS 701288-49-5
4-[({[4-Ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
CAS 701288-49-5C23H25N5O5S
Ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate chemical structure, C24H27N5O5S, CAS 701925-89-5
Ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
CAS 701925-89-5C24H27N5O5S
2-(4-Methoxyphenyl)-N-{1-[5-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}acetamide chemical structure, C25H29N5O3S, CAS 767324-29-8
2-(4-Methoxyphenyl)-N-{1-[5-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}acetamide
CAS 767324-29-8C25H29N5O3S
N-(3,4-Dimethylphenyl)-2-{[4-ethyl-5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide chemical structure, C25H31N5O3S, CAS 767324-38-9
N-(3,4-Dimethylphenyl)-2-{[4-ethyl-5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CAS 767324-38-9C25H31N5O3S
N-[1-[5-[2-(4-Chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide chemical structure, C23H26ClN5O3S, CAS 714281-34-2
N-[1-[5-[2-(4-Chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CAS 714281-34-2C23H26ClN5O3S
N-(5-Chloro-2-methoxyphenyl)-2-{[4-ethyl-5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide chemical structure, C24H28ClN5O4S, CAS 714281-49-9
N-(5-Chloro-2-methoxyphenyl)-2-{[4-ethyl-5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CAS 714281-49-9C24H28ClN5O4S
N-[1-[5-[2-(4-Bromo-3-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide chemical structure, C22H23BrClN5O3S, CAS 714281-93-3
N-[1-[5-[2-(4-Bromo-3-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CAS 714281-93-3C22H23BrClN5O3S
N-{1-[5-({2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-2-(4-methoxyphenyl)acetamide chemical structure, C22H23ClFN5O3S, CAS 767325-30-4
N-{1-[5-({2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-2-(4-methoxyphenyl)acetamide
CAS 767325-30-4C22H23ClFN5O3S
N-{1-[5-({2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-2-(4-methoxyphenyl)acetamide chemical structure, C24H25ClFN5O3S, CAS 714282-06-1
N-{1-[5-({2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-2-(4-methoxyphenyl)acetamide
CAS 714282-06-1C24H25ClFN5O3S