Murcko scaffold

Ring system with 4 rings and 25 atoms

15 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 25
Chemicals: 15
With full pages: 2

Scaffold SMILES

O=C(CCc1nc2sc3c(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(CCc1nc2sc3c(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 15 of 15 chemicals

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

CAS 460332-75-6C₂₁H₂₃N₃O₃S

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

CAS 1002827-92-0C₁₉H₁₈ClN₃O₂S

Photoregulin1

CAS 1003736-23-9C₂₁H₂₃N₃O₂S

3-(7-tert-Butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-(4-chlorophenyl)propanamide

CAS 950414-81-0C₂₃H₂₆ClN₃O₂S

3-(7-tert-Butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-(4-fluorophenyl)propanamide

CAS 950444-00-5C₂₃H₂₆FN₃O₂S

3-(7-tert-Butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-phenylpropanamide

CAS 950414-85-4C₂₃H₂₇N₃O₂S

$3-{11-tert-Butyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}-N-(3,4-dimethylphenyl)propanamide chemical structure, C25H31N3O2S, CAS 950444-02-7$

3-{11-tert-Butyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}-N-(3,4-dimethylphenyl)propanamide

CAS 950444-02-7C₂₅H₃₁N₃O₂S

$3-{11-tert-Butyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}-N-(4-methylphenyl)propanamide chemical structure, C24H29N3O2S, CAS 950346-01-7$

3-{11-tert-Butyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}-N-(4-methylphenyl)propanamide

CAS 950346-01-7C₂₄H₂₉N₃O₂S

3-(7-tert-Butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-(4-ethoxyphenyl)propanamide

CAS 950314-52-0C₂₅H₃₁N₃O₃S

$3-{11-tert-Butyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}-N-(4-methoxyphenyl)propanamide chemical structure, C24H29N3O3S, CAS 950415-01-7$

3-{11-tert-Butyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}-N-(4-methoxyphenyl)propanamide

CAS 950415-01-7C₂₄H₂₉N₃O₃S

3-(7-(tert-Butyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-(4-ethylphenyl)propanamide

CAS 950314-65-5C₂₅H₃₁N₃O₂S

$N-(3-Chlorophenyl)-3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}propanamide chemical structure, C19H18ClN3O2S, CAS 1016156-24-3$