Murcko scaffold

Ring system with 7 rings and 30 atoms

17 chemicals on CompoundList share this ring system.

Rings: 7
Scaffold atoms: 30
Chemicals: 17
With full pages: 3

Scaffold SMILES

O=C1C2C3C=CC(C2C(=O)N1c1ccccc1)C1C(=O)N(c2ccccc2)C(=O)C31

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=C1C2C3C=CC(C2C(=O)N1c1ccccc1)C1C(=O)N(c2ccccc2)C(=O)C31

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 17 of 17 chemicals

Ethyl 4-bromo-2,6-bis(2-ethoxyphenyl)-8,10-dimethyl-1,3,5,7-tetraoxododecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate

CAS 464876-80-0C₃₃H₃₃BrN₂O₈

Ethyl 4-bromo-2,6-bis(4-ethoxyphenyl)-8,10-dimethyl-1,3,5,7-tetraoxododecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate

CAS 317321-62-3C₃₃H₃₃BrN₂O₈

3,3'-(1,3,5,7-Tetraoxooctahydro-4,8-ethenopyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoic acid

CAS 71510-03-7C₂₆H₁₈N₂O₈

4-[10-(4-Carboxyphenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]benzoic acid

CAS 42038-92-6C₂₆H₁₈N₂O₈

Ethyl 4,10-bis(3-chloro-4-methylphenyl)-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-13-carboxylate

CAS 430432-36-3C₃₁H₂₈Cl₂N₂O₆

Ethyl 2,6-bis(2,5-dimethylphenyl)-8,10-dimethyl-1,3,5,7-tetraoxo-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate

CAS 471917-84-7C₃₃H₃₄N₂O₆

2,6-Bis(4-fluorophenyl)-8,10-dimethyl-1,3,5,7-tetraoxododecahydro-4,8-ethenopyrrolo[3,4-f]isoindol-9-yl propanoate

CAS 357933-05-2C₂₉H₂₄F₂N₂O₆

2,6-Bis(4-fluorophenyl)hexahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone

CAS 439295-17-7C₂₄H₁₆F₂N₂O₄

2,6-Bis(2-fluorophenyl)hexahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone

CAS 473575-09-6C₂₄H₁₆F₂N₂O₄

2,6-Bis(3-chloro-4-methylphenyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone

CAS 495402-78-3C₂₆H₂₀Cl₂N₂O₄

2,6-Bis(4-methoxyphenyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone

CAS 852715-88-9C₂₆H₂₂N₂O₆

2,6-Bis(4-ethoxyphenyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone

CAS 474648-03-8C₂₈H₂₆N₂O₆

$3-{10-[3-(Acetyloxy)phenyl]-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0^{2,6}.0^{8,12}]tetradec-13-en-4-yl}phenyl acetate chemical structure, C28H22N2O8, CAS 487000-95-3$

3-{10-[3-(Acetyloxy)phenyl]-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0^{2,6}.0^{8,12}]tetradec-13-en-4-yl}phenyl acetate

CAS 487000-95-3C₂₈H₂₂N₂O₈

2,6-Bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7(2H,3aH,6H,7aH)-tetraone

CAS 296261-81-9C₂₈H₂₆N₂O₄

Ethyl 4,10-bis(4-bromophenyl)-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate

CAS 5047-03-0C₂₉H₂₄Br₂N₂O₆

Ethyl 4,10-bis(4-methoxyphenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-13-carboxylate

CAS 485825-39-6C₂₉H₂₆N₂O₈

$4,10-Bis[4-(diethylamino)phenyl]-4,10-diazatetracyclo[5.5.2.0^{2,6}.0^{8,12}]tetradec-13-ene-3,5,9,11-tetrone chemical structure, C32H36N4O4, CAS 474648-11-8$

4,10-Bis[4-(diethylamino)phenyl]-4,10-diazatetracyclo[5.5.2.0^{2,6}.0^{8,12}]tetradec-13-ene-3,5,9,11-tetrone

CAS 474648-11-8C₃₂H₃₆N₄O₄

Ring system with 7 rings and 30 atoms

Chemicals with this scaffold

Related scaffolds