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Murcko scaffold

Ring system with 3 rings and 21 atoms

11 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
11
With full pages
4
Scaffold SMILES

O=C(CSc1ccc2c(n1)CCNC2)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(CSc1ccc2c(n1)CCNC2)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 11 of 11 chemicals

2-[(3-Cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide chemical structure, C20H22N4O2S, CAS 445222-25-3
2-[(3-Cyano-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CAS 445222-25-3C20H22N4O2S
2-[(3-Cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide chemical structure, C19H20N4O2S, CAS 496804-84-3
2-[(3-Cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CAS 496804-84-3C19H20N4O2S
2-[(3-Cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide chemical structure, C18H17FN4OS, CAS 496018-60-1
2-[(3-Cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CAS 496018-60-1C18H17FN4OS
N-(4-Chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide chemical structure, C18H17ClN4OS, CAS 371128-14-2
N-(4-Chlorophenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide
CAS 371128-14-2C18H17ClN4OS
2-[[6-Acetyl-3-cyano-4-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(3-cyanophenyl)acetamide chemical structure, C21H16F3N5O2S, CAS 664999-42-2
2-[[6-Acetyl-3-cyano-4-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]-N-(3-cyanophenyl)acetamide
CAS 664999-42-2C21H16F3N5O2S
Methyl 2-[[2-[[6-acetyl-3-cyano-4-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]acetyl]amino]benzoate chemical structure, C22H19F3N4O4S, CAS 664999-43-3
Methyl 2-[[2-[[6-acetyl-3-cyano-4-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]acetyl]amino]benzoate
CAS 664999-43-3C22H19F3N4O4S
2-[(3-Cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide chemical structure, C20H22N4O3S, CAS 387831-19-8
2-[(3-Cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CAS 387831-19-8C20H22N4O3S
2-[(3-Cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide chemical structure, C18H16Cl2N4OS, CAS 496804-66-1
2-[(3-Cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
CAS 496804-66-1C18H16Cl2N4OS
N-(4-tert-Butylphenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide chemical structure, C22H26N4OS, CAS 496804-65-0
N-(4-tert-Butylphenyl)-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanyl]acetamide
CAS 496804-65-0C22H26N4OS
2-[(3-Cyano-6-methyl-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide chemical structure, C19H17F3N4O2S, CAS 445382-44-5
2-[(3-Cyano-6-methyl-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CAS 445382-44-5C19H17F3N4O2S
2-[(3-Cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]-N-[2-(trifluoromethoxy)phenyl]acetamide chemical structure, C19H17F3N4O2S, CAS 488102-43-8
2-[(3-Cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]-N-[2-(trifluoromethoxy)phenyl]acetamide
CAS 488102-43-8C19H17F3N4O2S