Murcko scaffold

Ring system with 4 rings and 24 atoms

35 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 24
Chemicals: 35
With full pages: 8

Scaffold SMILES

O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1

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)c1ccccc1

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 35 of 35 chemicals

2-[2-(2-Fluorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 315708-59-9C₂₁H₁₉FN₂O₂S₂

2-[2-(4-Methylphenyl)-2-oxoethyl]sulfanyl-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 430470-81-8C₂₃H₂₄N₂O₂S₂

2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 380474-73-7C₂₂H₂₁FN₂O₂S₂

2-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 421578-03-2C₂₃H₂₄N₂O₃S₂

3-Allyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

CAS 421577-83-5C₂₂H₂₂N₂O₂S₂

2-[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 301174-45-8C₂₂H₂₂N₂O₃S₂

$5-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one chemical structure, C21H20N2O2S2, CAS 307341-17-9$

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

CAS 307341-17-9C₂₁H₂₀N₂O₂S₂

3-Ethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

CAS 314041-80-0C₂₀H₂₀N₂O₂S₂

2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

CAS 314041-76-4C₂₀H₁₉ClN₂O₂S₂

2-[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 330449-46-2C₂₁H₁₉ClN₂O₂S₂

2-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 301174-46-9C₂₃H₂₄N₂O₄S₂

2-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

CAS 314041-84-4C₂₀H₁₉BrN₂O₂S₂

2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

CAS 332937-72-1C₂₀H₂₀N₂O₃S₂

3-(2-Methylprop-2-enyl)-2-phenacylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 351007-38-0C₂₂H₂₂N₂O₂S₂

$5-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one chemical structure, C21H19FN2O2S2, CAS 431918-00-2$

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

CAS 431918-00-2C₂₁H₁₉FN₂O₂S₂

2-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

CAS 364601-17-2C₁₉H₁₇BrN₂O₂S₂

Cambridge id 5683059

CAS 371203-50-8C₁₉H₁₇ClN₂O₂S₂

2-[2-(3,4-Dichlorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 370071-25-3C₂₁H₁₈Cl₂N₂O₂S₂

$5-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one chemical structure, C21H19BrN2O2S2, CAS 331819-89-7$