CompoundList
Sign in
Murcko scaffold

Ring system with 4 rings and 27 atoms

10 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
27
Chemicals
10
With full pages
2
Scaffold SMILES

O=C(OC1CCN(Cc2ccccc2)C1)C1=CNC=CC1c1ccccc1

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(OC1CCN(Cc2ccccc2)C1)C1=CNC=CC1c1ccccc1

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 10 of 10 chemicals

3-(1-Benzylpyrrolidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C27H29N3O6, CAS 71863-55-3
3-(1-Benzylpyrrolidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 71863-55-3C27H29N3O6
Barnidipine hydrochloride chemical structure, C27H30ClN3O6, CAS 104757-53-1
Barnidipine hydrochloride
CAS 104757-53-1C27H30ClN3O6
Barnidipine chemical structure, C27H29N3O6, CAS 104713-75-9
Barnidipine
CAS 104713-75-9C27H29N3O6
3-((S)-1-Benzylpyrrolidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride chemical structure, C27H30ClN3O6, CAS 104831-94-9
3-((S)-1-Benzylpyrrolidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
CAS 104831-94-9C27H30ClN3O6
Barnidipine-d4 hydrochloride chemical structure, C27H30ClN3O6, CAS 117131-01-8
Barnidipine-d4 hydrochloride
CAS 117131-01-8C27H30ClN3O6
5-O-[(3R)-1-Benzylpyrrolidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, hydrochloride chemical structure, C27H30ClN3O6
5-O-[(3R)-1-Benzylpyrrolidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, hydrochloride
C27H30ClN3O6
Barnidipine impurity 3 chemical structure, C27H29N3O6, CAS 104713-77-1
Barnidipine impurity 3
CAS 104713-77-1C27H29N3O6
5-O-[(3R)-1-Benzylpyrrolidin-3-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, hydrochloride chemical structure, C27H30ClN3O6
5-O-[(3R)-1-Benzylpyrrolidin-3-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, hydrochloride
C27H30ClN3O6
(R)-3-((R)-1-Benzylpyrrolidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C27H29N3O6, CAS 104713-78-2
(R)-3-((R)-1-Benzylpyrrolidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 104713-78-2C27H29N3O6
Barnidipine-d5 chemical structure, C27H29N3O6, CAS 2771469-19-1
Barnidipine-d5
CAS 2771469-19-1C27H29N3O6