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Murcko scaffold

Ring system with 3 rings and 18 atoms

41 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
41
With full pages
5
Scaffold SMILES

O=C(Cn1cccn1)Nc1cc2c(s1)CCCC2

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(Cn1cccn1)Nc1cc2c(s1)CCCC2

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 41 of 41 chemicals

Methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C17H20N4O5S, CAS 355805-26-4
Methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 355805-26-4C17H20N4O5S
Methyl 2-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C17H18F3N3O3S, CAS 357611-73-5
Methyl 2-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 357611-73-5C17H18F3N3O3S
Methyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C17H17F4N3O3S, CAS 512808-58-1
Methyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 512808-58-1C17H17F4N3O3S
Isopropyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C19H21F4N3O3S, CAS 512808-80-9
Isopropyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 512808-80-9C19H21F4N3O3S
2-[3,5-Bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide chemical structure, C16H14F4N4OS, CAS 512809-08-4
2-[3,5-Bis(difluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CAS 512809-08-4C16H14F4N4OS
Ethyl 2-({[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C18H19ClF3N3O3S, CAS 351987-79-6
Ethyl 2-({[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 351987-79-6C18H19ClF3N3O3S
Isopropyl 2-[({4-nitro-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C17H20N4O5S, CAS 488822-68-0
Isopropyl 2-[({4-nitro-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 488822-68-0C17H20N4O5S
N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetamide chemical structure, C16H17N5O3S, CAS 354989-77-8
N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetamide
CAS 354989-77-8C16H17N5O3S
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide chemical structure, C16H14BrF3N4OS, CAS 299406-25-0
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CAS 299406-25-0C16H14BrF3N4OS
Methyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C16H17ClN4O5S, CAS 355804-99-8
Methyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 355804-99-8C16H17ClN4O5S
Methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C16H17BrN4O5S, CAS 355805-11-7
Methyl 2-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 355805-11-7C16H17BrN4O5S
Propan-2-yl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C19H24N4O5S, CAS 355805-23-1
Propan-2-yl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 355805-23-1C19H24N4O5S
2-({[4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C16H16BrF3N4O2S, CAS 355805-37-7
2-({[4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 355805-37-7C16H16BrF3N4O2S
Methyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C17H17BrF3N3O3S, CAS 357611-59-7
Methyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 357611-59-7C17H17BrF3N3O3S
Isopropyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C19H21BrF3N3O3S, CAS 357611-56-4
Isopropyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 357611-56-4C19H21BrF3N3O3S
Propan-2-yl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C18H21ClN4O5S, CAS 355804-96-5
Propan-2-yl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 355804-96-5C18H21ClN4O5S
2-(((5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C16H17F3N4O2S, CAS 489408-02-8
2-(((5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 489408-02-8C16H17F3N4O2S
Ethyl 2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C17H19BrN4O5S, CAS 957333-12-9
Ethyl 2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 957333-12-9C17H19BrN4O5S
N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitropyrazol-1-yl)acetamide chemical structure, C14H13N5O3S, CAS 955975-99-2
N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
CAS 955975-99-2C14H13N5O3S
2-[[2-(3,5-Dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C16H19N5O4S, CAS 355805-18-4
2-[[2-(3,5-Dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 355805-18-4C16H19N5O4S
Propyl 2-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C18H22N4O5S, CAS 328277-49-2
Propyl 2-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 328277-49-2C18H22N4O5S
N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide chemical structure, C15H14N6O5S, CAS 345950-85-8
N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CAS 345950-85-8C15H14N6O5S
N-(3-Cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide chemical structure, C16H17N5O3S, CAS 355804-93-2
N-(3-Cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CAS 355804-93-2C16H17N5O3S
2-[2-(4-Bromo-5-methyl-3-nitro-pyrazol-1-yl)-acetylamino]-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester chemical structure, C18H21BrN4O5S, CAS 355805-12-8
2-[2-(4-Bromo-5-methyl-3-nitro-pyrazol-1-yl)-acetylamino]-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
CAS 355805-12-8C18H21BrN4O5S