Murcko scaffold
Ring system with 2 rings and 18 atoms
33 chemicals on CompoundList share this ring system.
- Rings
- 2
- Scaffold atoms
- 18
- Chemicals
- 33
- With full pages
- 17
Scaffold SMILES
O=C(COC(=O)c1ccccc1)NC1CCCC1
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.
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 33 of 33 chemicals
![[2-(Cyclopentylamino)-2-oxoethyl] 4-nitrobenzoate chemical structure, C14H16N2O5, CAS 762247-78-9](/s/JTUVNYFWPLDWKZ-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 4-nitrobenzoate
CAS 762247-78-9C14H16N2O5
![[2-(Cyclopentylamino)-2-oxoethyl] 3-nitrobenzoate chemical structure, C14H16N2O5, CAS 762255-48-1](/s/WTMIHUQJQJHGEK-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 3-nitrobenzoate
CAS 762255-48-1C14H16N2O5
![[2-(Cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate chemical structure, C14H15BrClNO3, CAS 556792-11-1](/s/CFOGVIREJAWYMK-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CAS 556792-11-1C14H15BrClNO3
![[2-(Cyclopentylamino)-2-oxoethyl] 3-(difluoromethoxy)benzoate chemical structure, C15H17F2NO4, CAS 380486-88-4](/s/ADYYANPQFAFAAN-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CAS 380486-88-4C15H17F2NO4
![[2-(Cyclopentylamino)-2-oxoethyl] 2,5-dichlorobenzoate chemical structure, C14H15Cl2NO3, CAS 438033-77-3](/s/CRAIDNXWFAXRQW-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CAS 438033-77-3C14H15Cl2NO3
![[2-(Cyclopentylamino)-2-oxoethyl] 4-bromobenzoate chemical structure, C14H16BrNO3, CAS 438591-89-0](/s/FFPZQPGGVMYEEN-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 4-bromobenzoate
CAS 438591-89-0C14H16BrNO3
![[2-(Cyclopentylamino)-2-oxoethyl] 4-chloro-3-nitrobenzoate chemical structure, C14H15ClN2O5, CAS 728904-27-6](/s/BCIVAVMGEXAZIP-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 4-chloro-3-nitrobenzoate
CAS 728904-27-6C14H15ClN2O5
![[2-(Cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate chemical structure, C14H15Cl2NO3, CAS 475239-82-8](/s/XZNTYMGDICXHBL-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CAS 475239-82-8C14H15Cl2NO3
![[2-(Cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate chemical structure, C15H16N2O3, CAS 503151-13-1](/s/BKHKPUZZZBYIPX-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate
CAS 503151-13-1C15H16N2O3
![[2-(Cyclopentylamino)-2-oxoethyl] 2,4-dimethoxybenzoate chemical structure, C16H21NO5, CAS 474069-65-3](/s/XVLRCAZQMVWETL-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CAS 474069-65-3C16H21NO5
![[2-(Cyclopentylamino)-2-oxoethyl] 3,4-dimethylbenzoate chemical structure, C16H21NO3, CAS 478860-14-9](/s/IZQSABJCLNNEKJ-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 3,4-dimethylbenzoate
CAS 478860-14-9C16H21NO3
![[2-(Cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate chemical structure, C16H21NO3, CAS 502707-75-7](/s/JDCLTSUFPOODMX-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate
CAS 502707-75-7C16H21NO3
![[2-(Cyclopentylamino)-2-oxoethyl] 3,4-diethoxybenzoate chemical structure, C18H25NO5, CAS 484663-89-0](/s/ZJHSLGYLWAALAE-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CAS 484663-89-0C18H25NO5
![[2-(Cyclopentylamino)-2-oxoethyl] 3-(dimethylamino)benzoate chemical structure, C16H22N2O3, CAS 733025-10-0](/s/MBLYZSJQNABRIO-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CAS 733025-10-0C16H22N2O3
![[2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate chemical structure, C18H25NO4, CAS 733025-73-5](/s/VHOQPRKYKGCREX-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
CAS 733025-73-5C18H25NO4
![[2-(Cyclopentylamino)-2-oxoethyl] 2,3-dichlorobenzoate chemical structure, C14H15Cl2NO3, CAS 733028-06-3](/s/DPKJCYYRXOKBFP-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CAS 733028-06-3C14H15Cl2NO3
2-(Cyclopentylamino)-2-oxoethyl 4-methylbenzoate
CAS 481029-86-1C15H19NO3
![[2-(Cyclopentylamino)-2-oxoethyl] 4-propan-2-ylbenzoate chemical structure, C17H23NO3, CAS 736978-46-4](/s/BJEUWFCGXMSMPM-UHFFFAOYSA-N.svg)
[2-(Cyclopentylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
CAS 736978-46-4C17H23NO3
![[(1-Cyanocyclopentyl)carbamoyl]methyl 2-(butylamino)benzoate chemical structure, C19H25N3O3, CAS 923193-51-5](/s/RSNLLZMYUIGZLK-UHFFFAOYSA-N.svg)
[(1-Cyanocyclopentyl)carbamoyl]methyl 2-(butylamino)benzoate
CAS 923193-51-5C19H25N3O3
![[(1-Cyanocyclopentyl)carbamoyl]methyl 5-chloro-2-methoxybenzoate chemical structure, C16H17ClN2O4, CAS 876687-70-6](/s/FDMYDNDRCKMGDU-UHFFFAOYSA-N.svg)
[(1-Cyanocyclopentyl)carbamoyl]methyl 5-chloro-2-methoxybenzoate
CAS 876687-70-6C16H17ClN2O4
![[(1-Cyanocyclopentyl)carbamoyl]methyl 2-chlorobenzoate chemical structure, C15H15ClN2O3, CAS 930883-53-7](/s/QIVILOJSNCZVHD-UHFFFAOYSA-N.svg)
[(1-Cyanocyclopentyl)carbamoyl]methyl 2-chlorobenzoate
CAS 930883-53-7C15H15ClN2O3
![[(1-Cyanocyclopentyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate chemical structure, C16H15F3N2O3, CAS 875156-46-0](/s/LDENISVBBUATNN-UHFFFAOYSA-N.svg)
[(1-Cyanocyclopentyl)carbamoyl]methyl 2-(trifluoromethyl)benzoate
CAS 875156-46-0C16H15F3N2O3
![[(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate chemical structure, C17H20N2O4S, CAS 1008699-71-5](/s/DAXVYANUCSJWBO-UHFFFAOYSA-N.svg)
[(1-Cyanocyclopentyl)carbamoyl]methyl 2-(ethanesulfinyl)benzoate
CAS 1008699-71-5C17H20N2O4S
![[(1-Cyanocyclopentyl)carbamoyl]methyl 2-(difluoromethoxy)benzoate chemical structure, C16H16F2N2O4, CAS 876699-62-6](/s/YAQKIOKWIXTISW-UHFFFAOYSA-N.svg)
[(1-Cyanocyclopentyl)carbamoyl]methyl 2-(difluoromethoxy)benzoate
CAS 876699-62-6C16H16F2N2O4
- [2-[(1-Cyanocyclopentyl)amino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate1002604-90-1C15H15BrN2O4
- [2-[(1-Cyanocyclopentyl)amino]-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate871304-39-1C19H23N3O4S
- [(1-Cyanocyclopentyl)carbamoyl]methyl 3-bromo-4-methoxybenzoate871304-95-9C16H17BrN2O4
- [(1-Cyanocyclopentyl)carbamoyl]methyl 2-fluoro-4-methoxybenzoate871544-72-8C16H17FN2O4
- [(1-Cyanocyclopentyl)carbamoyl]methyl 2-[(2-methoxyethyl)amino]-5-nitrobenzoate871921-31-2C18H22N4O6
- [(1-Cyanocyclopentyl)carbamoyl]methyl 3-fluoro-4-methoxybenzoate871921-49-2C16H17FN2O4
- [2-[(1-Cyanocyclopentyl)amino]-2-oxoethyl] 2-amino-4-fluorobenzoate1240747-81-2C15H16FN3O3
- [2-[(1-Cyanocyclopentyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate1110816-42-6C16H18N2O4
- [(1-Cyanocyclopentyl)carbamoyl]methyl 4-(prop-2-enamido)benzoate2361776-87-4C18H19N3O4
Related scaffolds
Same ring framework with different atoms or bond orders
C(=CC1CCCC1)CCOc1ccccc137 chemicals
O=C(NCCCn1ccnc1)c1ccccc122 chemicals
O=S(=O)(NCCCn1ccnc1)c1ccccc120 chemicals
O=C(COc1ccccc1)NCC1CCCO117 chemicals
S=C(NCCc1ccccc1)Nc1nccs116 chemicals
O=C(CCS(=O)(=O)c1ccccc1)Nc1cccs113 chemicals![Scaffold O=C(CSc1ncn[nH]1)NCc1ccccc1](/scaffold/ZBSYLOJDGBMFAD-UHFFFAOYSA-N/structure.svg)
O=C(CSc1ncn[nH]1)NCc1ccccc113 chemicals
O=C(Cn1cccn1)NN=Cc1ccccc112 chemicals
O=C(NCC1CCCO1)C(=O)Nc1ccccc112 chemicals![Scaffold O=C(Cc1ccc[nH]1)NN=Cc1ccccc1](/scaffold/XCXHYNVYLRCCIP-UHFFFAOYSA-N/structure.svg)
O=C(Cc1ccc[nH]1)NN=Cc1ccccc112 chemicals![Scaffold O=C(NNC(=S)Nc1ccccc1)c1cc[nH]n1](/scaffold/GFTUZBZNWRQYBL-UHFFFAOYSA-N/structure.svg)
O=C(NNC(=S)Nc1ccccc1)c1cc[nH]n111 chemicals
C(=CC1CCCC1)CCCc1ccccc111 chemicals