Murcko scaffold
Ring system with 6 rings and 26 atoms
16 chemicals on CompoundList share this ring system.
- Rings
- 6
- Scaffold atoms
- 26
- Chemicals
- 16
- With full pages
- 4
Scaffold SMILES
O=C1NC(=O)C2C3CC(C4Sc5[nH]c(=O)sc5C(c5ccccc5)C34)C12
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.
![Murcko scaffold O=C1NC(=O)C2C3CC(C4Sc5[nH]c(=O)sc5C(c5ccccc5)C34)C12](/scaffold/MVPMVIXYHWTDJG-UHFFFAOYSA-N/structure.svg)
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 16 of 16 chemicals
![3-[10-(4-Methoxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoic acid chemical structure, C23H22N2O6S2, CAS 1177118-65-8](/s/YWCKXCYCFNVUGT-UHFFFAOYSA-N.svg)
3-[10-(4-Methoxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoic acid
CAS 1177118-65-8C23H22N2O6S2
![5,9-Methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-7(2H)-acetic acid, 3,4a,5,5a,6,8,8a,9,9a,10-decahydro-10-(4-methoxyphenyl)-2,6,8-trioxo- chemical structure, C22H20N2O6S2, CAS 638136-52-4](/s/FKMRIPWFFVLOAJ-UHFFFAOYSA-N.svg)
5,9-Methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-7(2H)-acetic acid, 3,4a,5,5a,6,8,8a,9,9a,10-decahydro-10-(4-methoxyphenyl)-2,6,8-trioxo-
CAS 638136-52-4C22H20N2O6S2
![2-((4aR,5R,5aR,8aR,9S)-2,6,8-Trioxo-10-phenyl-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)propanoic acid chemical structure, C22H20N2O5S2, CAS 1025062-88-7](/s/UEOITCYHVGYOKV-UHFFFAOYSA-N.svg)
2-((4aR,5R,5aR,8aR,9S)-2,6,8-Trioxo-10-phenyl-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)propanoic acid
CAS 1025062-88-7C22H20N2O5S2
![[10-(4-Chlorophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]acetic acid chemical structure, C21H17ClN2O5S2, CAS 1177776-41-8](/s/FXXPMNMDMFDBKP-UHFFFAOYSA-N.svg)
[10-(4-Chlorophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]acetic acid
CAS 1177776-41-8C21H17ClN2O5S2
![3-[9-(4-Hydroxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]propanoic acid chemical structure, C22H20N2O6S2, CAS 1177591-11-5](/s/SIKJFPYAWOXDLM-UHFFFAOYSA-N.svg)
3-[9-(4-Hydroxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]propanoic acid
CAS 1177591-11-5C22H20N2O6S2
![3-[9-(4-Chlorophenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]propanoic acid chemical structure, C22H19ClN2O5S2, CAS 1177663-94-3](/s/MATJXMNZTLPUPO-UHFFFAOYSA-N.svg)
3-[9-(4-Chlorophenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]propanoic acid
CAS 1177663-94-3C22H19ClN2O5S2
![[10-(4-Hydroxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]acetic acid chemical structure, C21H18N2O6S2, CAS 1177761-42-0](/s/NZXXEJJDQVYQIM-UHFFFAOYSA-N.svg)
[10-(4-Hydroxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]acetic acid
CAS 1177761-42-0C21H18N2O6S2
![(2,6,8-Trioxo-10-phenyl-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl)acetic acid chemical structure, C21H18N2O5S2, CAS 1164461-40-8](/s/GBYMFODZINXBOP-UHFFFAOYSA-N.svg)
(2,6,8-Trioxo-10-phenyl-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl)acetic acid
CAS 1164461-40-8C21H18N2O5S2
![4-[9-(4-Fluorophenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]butanoic acid chemical structure, C23H21FN2O5S2, CAS 1177818-32-4](/s/PTVVBLNROMZEGB-UHFFFAOYSA-N.svg)
4-[9-(4-Fluorophenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]butanoic acid
CAS 1177818-32-4C23H21FN2O5S2
![4-((4aR,5R,5aR,8aR,9S)-2,6,8-Trioxo-10-phenyl-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid chemical structure, C23H22N2O5S2, CAS 1177971-14-0](/s/RWVOQWRAWNRIMW-UHFFFAOYSA-N.svg)
4-((4aR,5R,5aR,8aR,9S)-2,6,8-Trioxo-10-phenyl-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)butanoic acid
CAS 1177971-14-0C23H22N2O5S2
![2-[9-(4-Fluorophenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]acetic acid chemical structure, C21H17FN2O5S2, CAS 1177765-09-1](/s/XPYPCAVHRVTFLO-UHFFFAOYSA-N.svg)
2-[9-(4-Fluorophenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]acetic acid
CAS 1177765-09-1C21H17FN2O5S2
![2-[10-(4-Chlorophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoic acid chemical structure, C22H19ClN2O5S2, CAS 1025013-83-5](/s/CQWNJRDHSMFJFZ-UHFFFAOYSA-N.svg)
2-[10-(4-Chlorophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoic acid
CAS 1025013-83-5C22H19ClN2O5S2
![2-[9-(4-Methylphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]propanoic acid chemical structure, C23H22N2O5S2, CAS 1024713-92-5](/s/PNJWLTBJBFDYNO-UHFFFAOYSA-N.svg)
2-[9-(4-Methylphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]propanoic acid
CAS 1024713-92-5C23H22N2O5S2
![4-[9-(4-Hydroxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]butanoic acid chemical structure, C23H22N2O6S2, CAS 1177786-09-2](/s/JDSYLTKCSAURSX-UHFFFAOYSA-N.svg)
4-[9-(4-Hydroxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]butanoic acid
CAS 1177786-09-2C23H22N2O6S2
![2-[10-(4-Hydroxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoic acid chemical structure, C22H20N2O6S2, CAS 1042743-32-7](/s/NAGBRRLNSAIHDO-UHFFFAOYSA-N.svg)
2-[10-(4-Hydroxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoic acid
CAS 1042743-32-7C22H20N2O6S2
![2-[9-(4-Methoxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]propanoic acid chemical structure, C23H22N2O6S2, CAS 1025086-18-3](/s/SVYMQMPCUJNMDW-UHFFFAOYSA-N.svg)
2-[9-(4-Methoxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-en-14-yl]propanoic acid
CAS 1025086-18-3C23H22N2O6S2