CompoundList
Sign in
Murcko scaffold

Ring system with 5 rings and 34 atoms

19 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
34
Chemicals
19
With full pages
1
Scaffold SMILES

O=C(Nc1ccccc1)c1cn(CCC2CCOCO2)c(-c2ccccc2)c1-c1ccccc1

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(Nc1ccccc1)c1cn(CCC2CCOCO2)c(-c2ccccc2)c1-c1ccccc1

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 19 of 19 chemicals

Atorvastatin Acetonide tert-Butyl Ester chemical structure, C40H47FN2O5, CAS 125971-95-1
Atorvastatin Acetonide tert-Butyl Ester
CAS 125971-95-1C40H47FN2O5
(6-{2-[2-(4-Fluoro-phenyl)-4-(4-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B chemical structure, C40H47FN2O6, CAS 265989-36-4
(6-{2-[2-(4-Fluoro-phenyl)-4-(4-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B
CAS 265989-36-4C40H47FN2O6
2-Hydroxy atorvastatin-d chemical structure, C40H47FN2O6, CAS 265989-42-2
2-Hydroxy atorvastatin-d
CAS 265989-42-2C40H47FN2O6
4-Hydroxy atorvastatin-d chemical structure, C40H47FN2O6, CAS 265989-38-6
4-Hydroxy atorvastatin-d
CAS 265989-38-6C40H47FN2O6
(6-{2-[3-(4-Phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester chemical structure, C40H47FN2O5, CAS 265989-34-2
(6-{2-[3-(4-Phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester
CAS 265989-34-2C40H47FN2O5
Atorvastatin acetonide chemical structure, C36H39FN2O5, CAS 581772-29-4
Atorvastatin acetonide
CAS 581772-29-4C36H39FN2O5
Ryw6GR2ysq chemical structure, C38H43FN2O5, CAS 616201-27-5
Ryw6GR2ysq
CAS 616201-27-5C38H43FN2O5
(3S,5S)-Atorvastatin Acetonide tert-Butyl Ester chemical structure, C40H47FN2O5, CAS 472967-95-6
(3S,5S)-Atorvastatin Acetonide tert-Butyl Ester
CAS 472967-95-6C40H47FN2O5
(6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B chemical structure, C40H47FN2O6, CAS 265989-40-0
(6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B
CAS 265989-40-0C40H47FN2O6
2-Fluoro Atorvastatin tert-Butyl Ester chemical structure, C40H47FN2O5, CAS 1099474-28-8
2-Fluoro Atorvastatin tert-Butyl Ester
CAS 1099474-28-8C40H47FN2O5
Butyl 6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate chemical structure, C40H47FN2O5, CAS 948550-67-2
Butyl 6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
CAS 948550-67-2C40H47FN2O5
10-trans-Atorvastatin Acetonide tert-Butyl Ester chemical structure, C40H47FN2O5, CAS 1105067-90-0
10-trans-Atorvastatin Acetonide tert-Butyl Ester
CAS 1105067-90-0C40H47FN2O5
Defluoro Atorvastatin Acetonide tert-Butyl Ester chemical structure, C40H48N2O5, CAS 1105067-91-1
Defluoro Atorvastatin Acetonide tert-Butyl Ester
CAS 1105067-91-1C40H48N2O5
Propan-2-yl 2-[(4R,6R)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate chemical structure, C39H45FN2O5, CAS 1112262-71-1
Propan-2-yl 2-[(4R,6R)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CAS 1112262-71-1C39H45FN2O5
Atorvastatin acetonide methyl ester chemical structure, C37H41FN2O5, CAS 1353049-81-6
Atorvastatin acetonide methyl ester
CAS 1353049-81-6C37H41FN2O5
Methyl 4-[1-[2-[(4R,6R)-6-[2-(tert-Butoxy)-2-oxoethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxamido]benzoate chemical structure, C42H49FN2O7, CAS 805241-61-6
Methyl 4-[1-[2-[(4R,6R)-6-[2-(tert-Butoxy)-2-oxoethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxamido]benzoate
CAS 805241-61-6C42H49FN2O7
Difluoro Atorvastatin Acetonide tert-Butyl Ester chemical structure, C40H46F2N2O5, CAS 693793-87-2
Difluoro Atorvastatin Acetonide tert-Butyl Ester
CAS 693793-87-2C40H46F2N2O5
tert-Butyl 2-[6-[2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate chemical structure, C40H47FN2O6
tert-Butyl 2-[6-[2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
C40H47FN2O6
(3R,5S)-Atorvastatin Acetonide tert-Butyl Ester chemical structure, C40H47FN2O5, CAS 947249-30-1
(3R,5S)-Atorvastatin Acetonide tert-Butyl Ester
CAS 947249-30-1C40H47FN2O5