Murcko scaffold

Ring system with 4 rings and 25 atoms

159 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 25
Chemicals: 159
With full pages: 47

Scaffold SMILES

O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)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)[nH]1)CCCC3)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 48 of 159 chemicals

Methyl 4-[[2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate

CAS 315676-56-3C₂₃H₂₃N₃O₄S₂

N-(2,6-Dimethylphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

CAS 315676-57-4C₂₃H₂₅N₃O₂S₂

N-(2-Ethoxyphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

CAS 379250-47-2C₂₃H₂₅N₃O₃S₂

N-(3-Chloro-4-fluorophenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

CAS 379244-14-1C₂₁H₁₉ClFN₃O₂S₂

$2-{[3-Oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-phenylacetamide chemical structure, C21H21N3O2S2, CAS 303228-46-8$

2-{[3-Oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-phenylacetamide

CAS 303228-46-8C₂₁H₂₁N₃O₂S₂

N-(2,5-Dimethylphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

CAS 302939-83-9C₂₃H₂₅N₃O₂S₂

$N-(2-Chlorophenyl)-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide chemical structure, C21H20ClN3O2S2, CAS 304683-75-8$

N-(2-Chlorophenyl)-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide

CAS 304683-75-8C₂₁H₂₀ClN₃O₂S₂

2-[(3-Allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide

CAS 307513-03-7C₂₁H₂₀FN₃O₂S₂

$N-(4-Ethoxyphenyl)-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide chemical structure, C23H25N3O3S2, CAS 304684-95-5$

N-(4-Ethoxyphenyl)-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide

CAS 304684-95-5C₂₃H₂₅N₃O₃S₂

N-(3-Chlorophenyl)-2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide

CAS 421578-04-3C₂₂H₂₂ClN₃O₂S₂

N-(2-Methylphenyl)-2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide

CAS 421578-05-4C₂₃H₂₅N₃O₂S₂

2-[(3-Allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide

CAS 406201-00-1C₂₁H₂₀ClN₃O₂S₂

$N-(3-Chlorophenyl)-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide chemical structure, C21H20ClN3O2S2, CAS 421577-85-7$

N-(3-Chlorophenyl)-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide

CAS 421577-85-7C₂₁H₂₀ClN₃O₂S₂

2-[(3-Allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-methoxy-5-methylphenyl)acetamide

CAS 329908-37-4C₂₃H₂₅N₃O₃S₂

N-(2-Ethyl-6-methylphenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

CAS 332932-05-5C₂₂H₂₅N₃O₂S₂

2-[(3-Methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide

CAS 332937-34-5C₁₉H₁₉N₃O₂S₂

2-[(3-Methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide

CAS 332937-42-5C₂₀H₂₁N₃O₂S₂

2-[(3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

CAS 333318-92-6C₂₁H₂₃N₃O₃S₂

N-(3-Methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

CAS 482639-40-7C₁₉H₁₉N₃O₂S₂

N-(4-Bromophenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

CAS 487038-49-3C₁₉H₁₈BrN₃O₂S₂

2-[(4-Oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

CAS 304862-31-5C₂₂H₂₀F₃N₃O₂S₂

$N-(4-Methoxyphenyl)-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide chemical structure, C22H23N3O3S2, CAS 300814-89-5$