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Murcko scaffold

Ring system with 4 rings and 26 atoms

62 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
62
With full pages
6
Scaffold SMILES

O=C(Nc1ccccn1)c1ccc2[nH]c(CNc3ccccc3)nc2c1

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(Nc1ccccn1)c1ccc2[nH]c(CNc3ccccc3)nc2c1

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 48 of 62 chemicals

Dabigatran chemical structure, C25H25N7O3, CAS 211914-51-1
Dabigatran
CAS 211914-51-1C25H25N7O3
Dabigatran ethyl ester chemical structure, C27H29N7O3, CAS 429658-95-7
Dabigatran ethyl ester
CAS 429658-95-7C27H29N7O3
Ethyl 3-[[2-[[4-[(Z)-N'-hydroxycarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate chemical structure, C27H29N7O4, CAS 658078-29-6
Ethyl 3-[[2-[[4-[(Z)-N'-hydroxycarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CAS 658078-29-6C27H29N7O4
Ethyl 3-(((2-(((4-cyanophenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)pyridin-2-ylamino)propionate chemical structure, C27H26N6O3, CAS 211915-84-3
Ethyl 3-(((2-(((4-cyanophenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)pyridin-2-ylamino)propionate
CAS 211915-84-3C27H26N6O3
Dabigatran ethyl ester tosylate chemical structure, C34H37N7O6S, CAS 872728-85-3
Dabigatran ethyl ester tosylate
CAS 872728-85-3C34H37N7O6S
Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo(d)imidazole-5-carboxamido)propanoate hydrochloride chemical structure, C27H30ClN7O3, CAS 211914-50-0
Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo(d)imidazole-5-carboxamido)propanoate hydrochloride
CAS 211914-50-0C27H30ClN7O3
Methyl 3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate chemical structure, C26H24N6O3, CAS 211916-39-1
Methyl 3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
CAS 211916-39-1C26H24N6O3
1-Methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-methoxycarbonylethyl)amide Hydrochloride chemical structure, C26H28ClN7O3, CAS 211914-58-8
1-Methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-methoxycarbonylethyl)amide Hydrochloride
CAS 211914-58-8C26H28ClN7O3
Methyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate chemical structure, C26H27N7O3, CAS 771459-37-1
Methyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
CAS 771459-37-1C26H27N7O3
N-[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine chemical structure, C25H22N6O3, CAS 212322-77-5
N-[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine
CAS 212322-77-5C25H22N6O3
3-[1-(2-{[(4-Carbamimidoylphenyl)amino]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-N-(pyridin-2-yl)formamido]propanoic acid hydrochloride chemical structure, C25H26ClN7O3, CAS 1936413-83-0
3-[1-(2-{[(4-Carbamimidoylphenyl)amino]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-N-(pyridin-2-yl)formamido]propanoic acid hydrochloride
CAS 1936413-83-0C25H26ClN7O3
Dabigatran-13C6 chemical structure, C25H25N7O3, CAS 1210608-88-0
Dabigatran-13C6
CAS 1210608-88-0C25H25N7O3
Ethyl 3-(2-(((4-(ethoxy(imino)methyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate hydrochloride chemical structure, C29H33ClN6O4, CAS 1354727-65-3
Ethyl 3-(2-(((4-(ethoxy(imino)methyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate hydrochloride
CAS 1354727-65-3C29H33ClN6O4
Ethyl 3-(2-(((4-(ethoxy(imino)methyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate chemical structure, C29H32N6O4, CAS 1354892-78-6
Ethyl 3-(2-(((4-(ethoxy(imino)methyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
CAS 1354892-78-6C29H32N6O4
Dabigatran ethyl ester benzenesulfonate chemical structure, C33H35N7O6S, CAS 1643773-80-1
Dabigatran ethyl ester benzenesulfonate
CAS 1643773-80-1C33H35N7O6S
Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate acetate chemical structure, C29H33N7O5, CAS 1188263-64-0
Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate acetate
CAS 1188263-64-0C29H33N7O5
Ethyl 3-(2-(((4-(((hexyloxy)carbonyl)carbamoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzimidazole-5-carboxamido)propanoate chemical structure, C34H40N6O6, CAS 1408238-40-3
Ethyl 3-(2-(((4-(((hexyloxy)carbonyl)carbamoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzimidazole-5-carboxamido)propanoate
CAS 1408238-40-3C34H40N6O6
Dabigatran impurity P chemical structure, C32H36N6O6, CAS 1408238-37-8
Dabigatran impurity P
CAS 1408238-37-8C32H36N6O6
Dabigatran impurity 79 chemical structure, C29H31N5O5, CAS 1422495-93-9
Dabigatran impurity 79
CAS 1422495-93-9C29H31N5O5
Ethyl 3-(2-((4-carbamoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate chemical structure, C27H28N6O4, CAS 1422435-41-3
Ethyl 3-(2-((4-carbamoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
CAS 1422435-41-3C27H28N6O4
Dabigatran-d3 chemical structure, C25H25N7O3, CAS 1246817-44-6
Dabigatran-d3
CAS 1246817-44-6C25H25N7O3
Deacetamidine cyano dabigatran-d3 ethyl ester chemical structure, C27H26N6O3, CAS 1346597-93-0
Deacetamidine cyano dabigatran-d3 ethyl ester
CAS 1346597-93-0C27H26N6O3
Deacetamidine cyano dabigatran-d3 ethyl ester oxalate chemical structure, C29H28N6O7, CAS 1794780-07-6
Deacetamidine cyano dabigatran-d3 ethyl ester oxalate
CAS 1794780-07-6C29H28N6O7
Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[D]imidazole-5-carboxamido)propanoate diacetate chemical structure, C31H37N7O7, CAS 1411034-31-5
Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[D]imidazole-5-carboxamido)propanoate diacetate
CAS 1411034-31-5C31H37N7O7