Murcko scaffold

Ring system with 5 rings and 30 atoms

39 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 30
Chemicals: 39
With full pages: 6

Scaffold SMILES

O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)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(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)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 39 of 39 chemicals

N-(3-Acetylphenyl)-2-((4-oxo-3-phenyl-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide

CAS 667913-10-2C₂₅H₂₁N₃O₃S₂

$N-(4-Fluorophenyl)-2-({12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)acetamide chemical structure, C23H18FN3O2S2, CAS 312498-82-1$

N-(4-Fluorophenyl)-2-({12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)acetamide

CAS 312498-82-1C₂₃H₁₈FN₃O₂S₂

2-{[3-(4-Chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

CAS 496967-45-4C₂₄H₂₀ClN₃O₃S₂

N-(4-Ethylphenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

CAS 311792-62-8C₂₅H₂₃N₃O₂S₂

2-{[3-(4-Chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

CAS 752990-07-1C₂₄H₂₀ClN₃O₃S₂

2-{[3-(4-Chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide

CAS 678190-15-3C₂₃H₁₇ClFN₃O₂S₂

N-[4-(Acetylamino)phenyl]-2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

CAS 677779-98-5C₂₅H₂₁ClN₄O₃S₂

2-{[3-(4-Chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

CAS 353460-99-8C₂₃H₁₇ClFN₃O₂S₂

2-{[3-(2-Methylphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide

CAS 380582-14-9C₂₄H₂₁N₃O₂S₂

2-{[3-(4-Chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide

CAS 423732-72-3C₂₃H₁₈ClN₃O₂S₂

$N-(3-Methoxyphenyl)-2-({12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)acetamide chemical structure, C24H21N3O3S2, CAS 670273-12-8$

N-(3-Methoxyphenyl)-2-({12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)acetamide

CAS 670273-12-8C₂₄H₂₁N₃O₃S₂

2-[(4-Oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

CAS 307513-25-3C₂₄H₁₈F₃N₃O₂S₂

2-(4-Oxo-3-phenyl(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-2-ylthio))-N-(4-sulfamoylphenyl)acetamide

CAS 496028-97-8C₂₃H₂₀N₄O₄S₃

$N-[4-Chloro-3-(trifluoromethyl)phenyl]-2-({12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)acetamide chemical structure, C24H17ClF3N3O2S2, CAS 315677-24-8$