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Murcko scaffold

Ring system with 4 rings and 23 atoms

22 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
22
With full pages
2
Scaffold SMILES

c1ccc(CCN2CCC(c3nc4ccccc4[nH]3)CC2)cc1

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 c1ccc(CCN2CCC(c3nc4ccccc4[nH]3)CC2)cc1

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 22 of 22 chemicals

Alinastine chemical structure, C28H39N3O, CAS 154541-72-7
Alinastine
CAS 154541-72-7C28H39N3O
Bilastine chemical structure, C28H37N3O3, CAS 202189-78-4
Bilastine
CAS 202189-78-4C28H37N3O3
2-(4-{2-[4-(1H-Benzoimidazol-2-yl)-piperidin-1-yl]-ethyl}-phenyl)-2-methyl-propionic acid methylester chemical structure, C25H31N3O2, CAS 1181267-37-7
2-(4-{2-[4-(1H-Benzoimidazol-2-yl)-piperidin-1-yl]-ethyl}-phenyl)-2-methyl-propionic acid methylester
CAS 1181267-37-7C25H31N3O2
Bilastine ester chemical structure, C29H39N3O3, CAS 1181267-38-8
Bilastine ester
CAS 1181267-38-8C29H39N3O3
3,3,3-Trideuterio-2-[3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-(trideuteriomethyl)propanoic acid chemical structure, C28H37N3O3, CAS 1215358-58-9
3,3,3-Trideuterio-2-[3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-(trideuteriomethyl)propanoic acid
CAS 1215358-58-9C28H37N3O3
Ethyl 2-[4-(2-(4-(1-(2-ethoxyethyl)benzimidazole-2-yl)piperidine-1-yl)ethyl)phenyl]-2-methylpropanoate chemical structure, C30H41N3O3, CAS 202189-79-5
Ethyl 2-[4-(2-(4-(1-(2-ethoxyethyl)benzimidazole-2-yl)piperidine-1-yl)ethyl)phenyl]-2-methylpropanoate
CAS 202189-79-5C30H41N3O3
2-[4-[2-[4-(2-Benzimidazolyl)-1-piperidyl]ethyl]phenyl]-2-methylpropanoic Acid chemical structure, C24H29N3O2, CAS 2099128-83-1
2-[4-[2-[4-(2-Benzimidazolyl)-1-piperidyl]ethyl]phenyl]-2-methylpropanoic Acid
CAS 2099128-83-1C24H29N3O2
Bilastine impurity 3 chemical structure, C26H33N3O3, CAS 202189-83-1
Bilastine impurity 3
CAS 202189-83-1C26H33N3O3
Bilastine impurity 34 chemical structure, C28H39N3O2, CAS 202189-80-8
Bilastine impurity 34
CAS 202189-80-8C28H39N3O2
Bilastine impurity 21 chemical structure, C28H37N3O3, CAS 1215537-40-8
Bilastine impurity 21
CAS 1215537-40-8C28H37N3O3
Bilastine impurity 27 chemical structure, C30H42N4O3, CAS 1638785-18-8
Bilastine impurity 27
CAS 1638785-18-8C30H42N4O3
4-[2-[4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-a,a-(dimethyl-d6)benzeneacetic Acid chemical structure, C28H37N3O3, CAS 2470116-56-2
4-[2-[4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-a,a-(dimethyl-d6)benzeneacetic Acid
CAS 2470116-56-2C28H37N3O3
1'-Hydroxy bilastine weinreb's amide chemical structure, C30H42N4O4, CAS 1638785-25-7
1'-Hydroxy bilastine weinreb's amide
CAS 1638785-25-7C30H42N4O4
Desethoxy methoxy bilastine chemical structure, C27H35N3O3, CAS 2767508-98-3
Desethoxy methoxy bilastine
CAS 2767508-98-3C27H35N3O3
2-(4-(2-(4-(1-(2-(2-Ethoxyethoxy)ethyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)-2-methylpropanoic acid chemical structure, C30H41N3O4, CAS 2767508-99-4
2-(4-(2-(4-(1-(2-(2-Ethoxyethoxy)ethyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)-2-methylpropanoic acid
CAS 2767508-99-4C30H41N3O4
2-(4-(2-(4-(1-(2-Ethoxyethyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide chemical structure, C32H46N4O3, CAS 2767509-00-0
2-(4-(2-(4-(1-(2-Ethoxyethyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide
CAS 2767509-00-0C32H46N4O3
Propyl 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoate chemical structure, C31H43N3O3, CAS 2699147-41-4
Propyl 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoate
CAS 2699147-41-4C31H43N3O3
1'-Hydroxy bilastine chemical structure, C28H37N3O4, CAS 1638785-23-5
1'-Hydroxy bilastine
CAS 1638785-23-5C28H37N3O4
Bilastine N-oxide chemical structure, C28H37N3O4, CAS 2069238-47-5
Bilastine N-oxide
CAS 2069238-47-5C28H37N3O4
Bilastine-d4 chemical structure, C28H37N3O3, CAS 2747918-37-0
Bilastine-d4
CAS 2747918-37-0C28H37N3O3
Bilastine impurity 4 chemical structure, C32H46N4O3, CAS 2761921-47-3
Bilastine impurity 4
CAS 2761921-47-3C32H46N4O3
Benzeneacetic acid, 4-[2-[4-[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-|A,|A-dimethyl-, methyl ester, hydrochloride (1:1) chemical structure, C29H40ClN3O3, CAS 1567835-77-1
Benzeneacetic acid, 4-[2-[4-[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-|A,|A-dimethyl-, methyl ester, hydrochloride (1:1)
CAS 1567835-77-1C29H40ClN3O3