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Murcko scaffold

8-Benzoyl-6-phenyl-7A,8-dihydro-4AH-pyrrolo(3',4':3,4)pyrrolo(1,2-B)pyridazine-5,7(4BH,6H)-dione scaffold

14 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
14
With full pages
5
Scaffold SMILES

O=C(c1ccccc1)C1C2C(=O)N(c3ccccc3)C(=O)C2C2C=CC=NN21

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 scaffoldOpen the 8-Benzoyl-6-phenyl-7A,8-dihydro-4AH-pyrrolo(3',4':3,4)pyrrolo(1,2-B)pyridazine-5,7(4BH,6H)-dione page
Murcko scaffold O=C(c1ccccc1)C1C2C(=O)N(c3ccccc3)C(=O)C2C2C=CC=NN21

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 14 of 14 chemicals

8-(4-Fluorobenzoyl)-6-phenyl-7A,8-dihydro-4AH-pyrrolo(3',4':3,4)pyrrolo(1,2-B)pyridazine-5,7(4BH,6H)-dione chemical structure, C22H16FN3O3, CAS 882865-50-1
8-(4-Fluorobenzoyl)-6-phenyl-7A,8-dihydro-4AH-pyrrolo(3',4':3,4)pyrrolo(1,2-B)pyridazine-5,7(4BH,6H)-dione
CAS 882865-50-1C22H16FN3O3
8-Benzoyl-6-phenyl-7A,8-dihydro-4AH-pyrrolo(3',4':3,4)pyrrolo(1,2-B)pyridazine-5,7(4BH,6H)-dione chemical structure, C22H17N3O3, CAS 882865-49-8
8-Benzoyl-6-phenyl-7A,8-dihydro-4AH-pyrrolo(3',4':3,4)pyrrolo(1,2-B)pyridazine-5,7(4BH,6H)-dione
CAS 882865-49-8C22H17N3O3
8-(3-Nitrobenzoyl)-6-phenyl-7A,8-dihydro-4AH-pyrrolo(3',4':3,4)pyrrolo(1,2-B)pyridazine-5,7(4BH,6H)-dione chemical structure, C22H16N4O5, CAS 882865-54-5
8-(3-Nitrobenzoyl)-6-phenyl-7A,8-dihydro-4AH-pyrrolo(3',4':3,4)pyrrolo(1,2-B)pyridazine-5,7(4BH,6H)-dione
CAS 882865-54-5C22H16N4O5
(2R,6S,7R)-7-(4-Methoxybenzoyl)-4-(4-nitrophenyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione chemical structure, C23H18N4O6, CAS 1014061-92-7
(2R,6S,7R)-7-(4-Methoxybenzoyl)-4-(4-nitrophenyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
CAS 1014061-92-7C23H18N4O6
(1S,2R,6S,7R)-7-(3-Nitrobenzoyl)-4-(4-nitrophenyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione chemical structure, C22H15N5O7, CAS 1014061-79-0
(1S,2R,6S,7R)-7-(3-Nitrobenzoyl)-4-(4-nitrophenyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
CAS 1014061-79-0C22H15N5O7
(1S,2R,6S,7R)-4-(2-Methoxy-5-nitrophenyl)-7-(3-nitrobenzoyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione chemical structure, C23H17N5O8, CAS 1014062-03-3
(1S,2R,6S,7R)-4-(2-Methoxy-5-nitrophenyl)-7-(3-nitrobenzoyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
CAS 1014062-03-3C23H17N5O8
(1R,2S,6R,7S)-7-(3,4-Dimethoxybenzoyl)-4-(2-methyl-5-nitrophenyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione chemical structure, C25H22N4O7, CAS 1014083-42-1
(1R,2S,6R,7S)-7-(3,4-Dimethoxybenzoyl)-4-(2-methyl-5-nitrophenyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
CAS 1014083-42-1C25H22N4O7
(4aR,4bS,7aR,8S)-6-(4-Acetylphenyl)-8-(4-fluorobenzoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione chemical structure, C24H18FN3O4, CAS 1014100-85-6
(4aR,4bS,7aR,8S)-6-(4-Acetylphenyl)-8-(4-fluorobenzoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
CAS 1014100-85-6C24H18FN3O4
Butyl 4-[(1R,2S,6R,7S)-7-(3,4-dimethoxybenzoyl)-3,5-dioxo-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-dien-4-yl]benzoate chemical structure, C29H29N3O7, CAS 1014102-20-5
Butyl 4-[(1R,2S,6R,7S)-7-(3,4-dimethoxybenzoyl)-3,5-dioxo-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-dien-4-yl]benzoate
CAS 1014102-20-5C29H29N3O7
(4aR,4bS,7aR,8S)-8-(4-Fluorobenzoyl)-6-(2-methoxy-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione chemical structure, C23H17FN4O6, CAS 1014101-04-2
(4aR,4bS,7aR,8S)-8-(4-Fluorobenzoyl)-6-(2-methoxy-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
CAS 1014101-04-2C23H17FN4O6
[4-[(2S,6R,7S)-4-[4-Chloro-3-(trifluoromethyl)phenyl]-3,5-dioxo-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carbonyl]phenyl] acetate chemical structure, C25H17ClF3N3O5, CAS 1014083-47-6
[4-[(2S,6R,7S)-4-[4-Chloro-3-(trifluoromethyl)phenyl]-3,5-dioxo-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carbonyl]phenyl] acetate
CAS 1014083-47-6C25H17ClF3N3O5
4-((4bS,7aR,8S)-6-(3-Chloro-4-fluorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carbonyl)phenyl acetate chemical structure, C24H17ClFN3O5, CAS 1013836-44-6
4-((4bS,7aR,8S)-6-(3-Chloro-4-fluorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carbonyl)phenyl acetate
CAS 1013836-44-6C24H17ClFN3O5
8-(4-Chlorobenzoyl)-6-phenyl-7A,8-dihydro-4AH-pyrrolo(3',4':3,4)pyrrolo(1,2-B)pyridazine-5,7(4BH,6H)-dione chemical structure, C22H16ClN3O3, CAS 882865-51-2
8-(4-Chlorobenzoyl)-6-phenyl-7A,8-dihydro-4AH-pyrrolo(3',4':3,4)pyrrolo(1,2-B)pyridazine-5,7(4BH,6H)-dione
CAS 882865-51-2C22H16ClN3O3
8-(4-Bromobenzoyl)-6-phenyl-7A,8-dihydro-4AH-pyrrolo(3',4':3,4)pyrrolo(1,2-B)pyridazine-5,7(4BH,6H)-dione chemical structure, C22H16BrN3O3, CAS 882865-52-3
8-(4-Bromobenzoyl)-6-phenyl-7A,8-dihydro-4AH-pyrrolo(3',4':3,4)pyrrolo(1,2-B)pyridazine-5,7(4BH,6H)-dione
CAS 882865-52-3C22H16BrN3O3