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Murcko scaffold

Ring system with 5 rings and 31 atoms

12 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
31
Chemicals
12
With full pages
5
Scaffold SMILES

O=C(C(c1ccccc1)c1ccccc1)N1CCc2c(ncn2Cc2ccccc2)C1

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(C(c1ccccc1)c1ccccc1)N1CCc2c(ncn2Cc2ccccc2)C1

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 12 of 12 chemicals

1-((4-(Dimethylamino)-3-methylphenyl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid chemical structure, C31H32N4O3, CAS 114785-14-7
1-((4-(Dimethylamino)-3-methylphenyl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid
CAS 114785-14-7C31H32N4O3
1-((4-Amino-3-methylphenyl)methyl)-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid chemical structure, C29H28N4O3, CAS 114785-12-5
1-((4-Amino-3-methylphenyl)methyl)-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid
CAS 114785-12-5C29H28N4O3
(6R)-1-[[4-(Dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid chemical structure, C31H32N4O3, CAS 114785-90-9
(6R)-1-[[4-(Dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CAS 114785-90-9C31H32N4O3
(6S)-1-((4-(Dimethylamino)-3-methylphenyl)methyl)-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid chemical structure, C31H32N4O3, CAS 130663-39-7
(6S)-1-((4-(Dimethylamino)-3-methylphenyl)methyl)-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid
CAS 130663-39-7C31H32N4O3
1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid chemical structure, C29H28N4O3, CAS 136676-90-9
1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CAS 136676-90-9C29H28N4O3
PD 123319 ditrifluoroacetate chemical structure, C35H34F6N4O7, CAS 136676-91-0
PD 123319 ditrifluoroacetate
CAS 136676-91-0C35H34F6N4O7
5-Diphenylacetyl-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid chemical structure, C30H29N3O4, CAS 136676-76-1
5-Diphenylacetyl-1-(4-methoxy-3-methyl-benzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CAS 136676-76-1C30H29N3O4
(6S)-5-(2,2-Diphenylacetyl)-1-[(3-ethyl-4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid chemical structure, C31H31N3O4, CAS 136676-92-1
(6S)-5-(2,2-Diphenylacetyl)-1-[(3-ethyl-4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CAS 136676-92-1C31H31N3O4
Methyl (S)-1-(4-Amino-3-methylbenzyl)-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate chemical structure, C30H30N4O3, CAS 136677-04-8
Methyl (S)-1-(4-Amino-3-methylbenzyl)-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate
CAS 136677-04-8C30H30N4O3
(S)-5-Diphenylacetyl-1-(3-methyl-4-nitrophenyl)methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester chemical structure, C30H28N4O5, CAS 114785-70-5
(S)-5-Diphenylacetyl-1-(3-methyl-4-nitrophenyl)methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester
CAS 114785-70-5C30H28N4O5
S-(+)-PD 123177 trifluoroacetate salt hydrate chemical structure, C31H29F3N4O5, CAS 1197333-56-4
S-(+)-PD 123177 trifluoroacetate salt hydrate
CAS 1197333-56-4C31H29F3N4O5
PD-123319-d6 (diTFA hydrate) chemical structure, C35H36F6N4O8, CAS 1346603-57-3
PD-123319-d6 (diTFA hydrate)
CAS 1346603-57-3C35H36F6N4O8