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Murcko scaffold

Ring system with 4 rings and 22 atoms

6 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
6
With full pages
1
Scaffold SMILES

c1ccc(-n2cnnc2CSc2nc3ccccc3s2)cc1

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 c1ccc(-n2cnnc2CSc2nc3ccccc3s2)cc1

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 6 of 6 chemicals

Ethyl ({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate chemical structure, C20H18N4O2S3, CAS 315695-54-6
Ethyl ({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
CAS 315695-54-6C20H18N4O2S3
2-[[5-(1,3-Benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-hydroxyethyl)acetamide chemical structure, C20H19N5O2S3, CAS 315702-28-4
2-[[5-(1,3-Benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-hydroxyethyl)acetamide
CAS 315702-28-4C20H19N5O2S3
2-({5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-hydroxypropyl)acetamide chemical structure, C21H21N5O2S3, CAS 315702-27-3
2-({5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-hydroxypropyl)acetamide
CAS 315702-27-3C21H21N5O2S3
2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole chemical structure, C19H14N4S3, CAS 315695-68-2
2-[(4-Phenyl-5-prop-2-ynylthio-1,2,4-triazol-3-yl)methylthio]benzothiazole
CAS 315695-68-2C19H14N4S3
Ethyl 4-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate chemical structure, C22H22N4O2S3, CAS 327094-53-1
Ethyl 4-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
CAS 327094-53-1C22H22N4O2S3
2-({5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid chemical structure, C18H14N4O2S3, CAS 722490-57-5
2-({5-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
CAS 722490-57-5C18H14N4O2S3