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Murcko scaffold

Ring system with 4 rings and 25 atoms

12 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
12
With full pages
2
Scaffold SMILES

C(=CC=Cc1nc2ccccc2s1)C=CC=C1Nc2ccccc2S1

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 C(=CC=Cc1nc2ccccc2s1)C=CC=C1Nc2ccccc2S1

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 12 of 12 chemicals

Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl)-, iodide chemical structure, C25H25IN2S2
Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl)-, iodide
C25H25IN2S2
Sodium 3-[(2Z)-2-[(2Z,4E,6Z)-7-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate chemical structure, C27H27N2NaO6S4, CAS 36531-77-8
Sodium 3-[(2Z)-2-[(2Z,4E,6Z)-7-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
CAS 36531-77-8C27H27N2NaO6S4
3,3'-Diethylthiatricarbocyanine iodide chemical structure, C25H25IN2S2, CAS 3071-70-3
3,3'-Diethylthiatricarbocyanine iodide
CAS 3071-70-3C25H25IN2S2
Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrien-1-yl]-, perchlorate (1:1) chemical structure, C25H25ClN2O4S2, CAS 22268-66-2
Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrien-1-yl]-, perchlorate (1:1)
CAS 22268-66-2C25H25ClN2O4S2
3,3'-Diethylthiatricarbocyanine chemical structure, C25H25N2S2+, CAS 23178-68-9
3,3'-Diethylthiatricarbocyanine
CAS 23178-68-9C25H25N2S2+
3,3'-Dipentylthiacarbocyanine chemical structure, C31H37IN2S2, CAS 159021-02-0
3,3'-Dipentylthiacarbocyanine
CAS 159021-02-0C31H37IN2S2
3-Ethyl-2-(7-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)benzo[d]thiazol-3-ium iodide chemical structure, C25H25IN2S2
3-Ethyl-2-(7-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)benzo[d]thiazol-3-ium iodide
C25H25IN2S2
(2Z)-3-Ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole, hydroiodide chemical structure, C25H26IN2S2+
(2Z)-3-Ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole, hydroiodide
C25H26IN2S2+
3-Ethyl-2-[7-[3-ethyl-2(3H)-benzothiazolylidene]-1,3,5-heptatrienyl]benzothiazolium Iodide chemical structure, C25H25IN2S2
3-Ethyl-2-[7-[3-ethyl-2(3H)-benzothiazolylidene]-1,3,5-heptatrienyl]benzothiazolium Iodide
C25H25IN2S2
(2Z)-3-Ethyl-2-[(2E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide chemical structure, C25H25IN2S2
(2Z)-3-Ethyl-2-[(2E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide
C25H25IN2S2
(2E)-3-Ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole chloride chemical structure, C25H25ClN2S2, CAS 70066-45-4
(2E)-3-Ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole chloride
CAS 70066-45-4C25H25ClN2S2
3-Ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide chemical structure, C25H25IN2S2
3-Ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide
C25H25IN2S2