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Murcko scaffold

Ring system with 4 rings and 25 atoms

7 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
7
With full pages
1
Scaffold SMILES

O=C(CSc1nnc(-c2ccncc2)[nH]1)Nc1nc2ccccc2s1

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(-c2ccncc2)[nH]1)Nc1nc2ccccc2s1

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 7 of 7 chemicals

Gnf-1331 chemical structure, C20H20N6O2S2, CAS 603101-22-0
Gnf-1331
CAS 603101-22-0C20H20N6O2S2
N-(1,3-Benzothiazol-2-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide chemical structure, C17H14N6OS2, CAS 892675-75-1
N-(1,3-Benzothiazol-2-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CAS 892675-75-1C17H14N6OS2
N-(1,3-Benzothiazol-2-yl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide chemical structure, C18H16N6OS2, CAS 891329-13-8
N-(1,3-Benzothiazol-2-yl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CAS 891329-13-8C18H16N6OS2
2-{[4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide chemical structure, C19H18N6O2S2, CAS 915915-05-8
2-{[4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CAS 915915-05-8C19H18N6O2S2
N-(1,3-Benzothiazol-2-yl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide chemical structure, C18H16N6OS2, CAS 950248-42-7
N-(1,3-Benzothiazol-2-yl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
CAS 950248-42-7C18H16N6OS2
N-(1,3-Benzothiazol-2-yl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide chemical structure, C19H18N6OS2, CAS 950253-35-7
N-(1,3-Benzothiazol-2-yl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
CAS 950253-35-7C19H18N6OS2
N-(6-Methoxy-1,3-benzothiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide chemical structure, C20H18N6O2S2, CAS 948202-43-5
N-(6-Methoxy-1,3-benzothiazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CAS 948202-43-5C20H18N6O2S2