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Murcko scaffold

Ring system with 5 rings and 27 atoms

16 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 27
Chemicals: 16
With full pages: 3

Scaffold SMILES

O=C1C2Sc3[nH]c(=O)sc3C(c3ccccc3)C2C(=O)N1c1ccccc1

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=C1C2Sc3[nH]c(=O)sc3C(c3ccccc3)C2C(=O)N1c1ccccc1

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 16 of 16 chemicals

$11-(4-Ethoxyphenyl)-8-phenyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione chemical structure, C22H18N2O4S2, CAS 459155-71-6$

11-(4-Ethoxyphenyl)-8-phenyl-2,6-dithia-4,11-diazatricyclo[7.3.0.0^{3,7}]dodec-3(7)-ene-5,10,12-trione

CAS 459155-71-6C₂₂H₁₈N₂O₄S₂

8-(4-Methylphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[2,3]thiopyrano[4,5-b][1,3]thiazole-2,5,7-trione chemical structure, C22H15F3N2O3S2, CAS 1005108-56-4

8-(4-Methylphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[2,3]thiopyrano[4,5-b][1,3]thiazole-2,5,7-trione

CAS 1005108-56-4C₂₂H₁₅F₃N₂O₃S₂

6-(4-Chlorophenyl)-8-(4-methoxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione chemical structure, C21H15ClN2O4S2, CAS 1005053-46-2

6-(4-Chlorophenyl)-8-(4-methoxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione

CAS 1005053-46-2C₂₁H₁₅ClN₂O₄S₂

8-(4-Methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione chemical structure, C22H15F3N2O4S2, CAS 1005262-77-0

8-(4-Methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione

CAS 1005262-77-0C₂₂H₁₅F₃N₂O₄S₂

5-(4-Bromophenyl)-8-(4-hydroxyphenyl)-2,10-dithia-5,12-diazatricyclo[7.3.0.0<3 ,7>]dodec-1(9)-ene-4,6,11-trione chemical structure, C20H13BrN2O4S2, CAS 1005141-16-1

5-(4-Bromophenyl)-8-(4-hydroxyphenyl)-2,10-dithia-5,12-diazatricyclo[7.3.0.0<3 ,7>]dodec-1(9)-ene-4,6,11-trione

CAS 1005141-16-1C₂₀H₁₃BrN₂O₄S₂

Ethyl 4-[8-(4-methoxyphenyl)-2,5,7-trioxo-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl]benzoate chemical structure, C24H20N2O6S2, CAS 1005270-18-7

Ethyl 4-[8-(4-methoxyphenyl)-2,5,7-trioxo-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl]benzoate

CAS 1005270-18-7C₂₄H₂₀N₂O₆S₂

8-(4-Methoxyphenyl)-6-(4-methylphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione chemical structure, C22H18N2O4S2, CAS 1005096-94-5

8-(4-Methoxyphenyl)-6-(4-methylphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione

CAS 1005096-94-5C₂₂H₁₈N₂O₄S₂

6-(4-Chloro-phenyl)-8-phenyl-3,4a,7a,8-tetrahydro-pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7-trion e chemical structure, C20H13ClN2O3S2, CAS 1005188-97-5

6-(4-Chloro-phenyl)-8-phenyl-3,4a,7a,8-tetrahydro-pyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7-trion e

CAS 1005188-97-5C₂₀H₁₃ClN₂O₃S₂

6-(4-Bromophenyl)-8-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione chemical structure, C20H13BrN2O3S2, CAS 1005035-94-8

6-(4-Bromophenyl)-8-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione

CAS 1005035-94-8C₂₀H₁₃BrN₂O₃S₂

6-(4-Chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione chemical structure, C20H13ClN2O4S2, CAS 1005188-63-5

6-(4-Chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione

CAS 1005188-63-5C₂₀H₁₃ClN₂O₄S₂

6-(4-Methylphenyl)-8-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione chemical structure, C21H16N2O3S2, CAS 1005106-26-2

6-(4-Methylphenyl)-8-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione

CAS 1005106-26-2C₂₁H₁₆N₂O₃S₂

6-(4-Bromophenyl)-8-(4-methoxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione chemical structure, C21H15BrN2O4S2, CAS 1005106-78-4

6-(4-Bromophenyl)-8-(4-methoxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione

CAS 1005106-78-4C₂₁H₁₅BrN₂O₄S₂

8-(4-Methoxyphenyl)-6-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione chemical structure, C21H16N2O4S2, CAS 1005081-98-0

8-(4-Methoxyphenyl)-6-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione

CAS 1005081-98-0C₂₁H₁₆N₂O₄S₂

8-(3-Nitrophenyl)-6-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione chemical structure, C20H13N3O5S2, CAS 1005147-08-9

8-(3-Nitrophenyl)-6-phenyl-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione

CAS 1005147-08-9C₂₀H₁₃N₃O₅S₂

6-(4-Bromophenyl)-8-(4-hydroxy-3-methoxyphenyl)-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione chemical structure, C21H15BrN2O5S2, CAS 1005041-87-1

6-(4-Bromophenyl)-8-(4-hydroxy-3-methoxyphenyl)-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione

CAS 1005041-87-1C₂₁H₁₅BrN₂O₅S₂

6-(4-Bromophenyl)-8-(3-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione chemical structure, C20H12BrN3O5S2, CAS 4842-18-6

6-(4-Bromophenyl)-8-(3-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione

CAS 4842-18-6C₂₀H₁₂BrN₃O₅S₂