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Murcko scaffold

Ring system with 2 rings and 29 atoms

18 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
29
Chemicals
18
With full pages
1
Scaffold SMILES

O=C(CCCCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)Nc1ccccc1

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(CCCCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)Nc1ccccc1

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 18 of 18 chemicals

N-(6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl)-L-valyl-N5-(aminocarbonyl)-N-(4-(hydroxymethyl)phenyl)-L-ornithinamide chemical structure, C28H40N6O7, CAS 159857-80-4
N-(6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl)-L-valyl-N5-(aminocarbonyl)-N-(4-(hydroxymethyl)phenyl)-L-ornithinamide
CAS 159857-80-4C28H40N6O7
MC-VC-Pab-NH2 chemical structure, C31H46N8O8, CAS 1616727-20-8
MC-VC-Pab-NH2
CAS 1616727-20-8C31H46N8O8
Mc-Val-Ala-PAB chemical structure, C25H34N4O6, CAS 1870916-87-2
Mc-Val-Ala-PAB
CAS 1870916-87-2C25H34N4O6
Mc-Val-Cit-PAB-Cl chemical structure, C28H39ClN6O6, CAS 1639351-92-0
Mc-Val-Cit-PAB-Cl
CAS 1639351-92-0C28H39ClN6O6
4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl formate chemical structure, C29H40N6O8, CAS 2757241-17-9
4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl formate
CAS 2757241-17-9C29H40N6O8
MC-Ala-Ala-PAB chemical structure, C23H30N4O6, CAS 1949793-44-5
MC-Ala-Ala-PAB
CAS 1949793-44-5C23H30N4O6
MC-Val-Cit-PAB-NH-C2-NH-Boc chemical structure, C36H54N8O10, CAS 1616727-22-0
MC-Val-Cit-PAB-NH-C2-NH-Boc
CAS 1616727-22-0C36H54N8O10
MC-Val-D-Cit-PAB chemical structure, C28H40N6O7, CAS 2226490-85-1
MC-Val-D-Cit-PAB
CAS 2226490-85-1C28H40N6O7
4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl hydrogen carbonate chemical structure, C29H40N6O9, CAS 866836-20-6
4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl hydrogen carbonate
CAS 866836-20-6C29H40N6O9
MC-Val-Cit-PAB-NH2 chemical structure, C28H41N7O6, CAS 2278225-07-1
MC-Val-Cit-PAB-NH2
CAS 2278225-07-1C28H41N7O6
MC-Val-Cit-PAB-NHBoc chemical structure, C33H49N7O8, CAS 2278225-06-0
MC-Val-Cit-PAB-NHBoc
CAS 2278225-06-0C33H49N7O8
MC-Val-Ala-PAB-Cl chemical structure, C25H33ClN4O5, CAS 2983182-03-0
MC-Val-Ala-PAB-Cl
CAS 2983182-03-0C25H33ClN4O5
MC-VC-Pab-NH2 tfa chemical structure, C33H47F3N8O10, CAS 1616727-21-9
MC-VC-Pab-NH2 tfa
CAS 1616727-21-9C33H47F3N8O10
MC-Val-Cit-PAB-CH3-OH chemical structure, C29H42N6O7, CAS 2953761-85-6
MC-Val-Cit-PAB-CH3-OH
CAS 2953761-85-6C29H42N6O7
N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide chemical structure, C28H41N7O6, CAS 2408399-92-6
N-[(2S)-1-[[(2S)-5-(Diaminomethylideneamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CAS 2408399-92-6C28H41N7O6
tert-Butyl N-[[5-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methyl-butanoyl]amino]propanoyl]amino]-2-(hydroxymethyl)phenyl]methyl]-N-methyl-carbamate chemical structure, C32H47N5O8, CAS 2857963-18-7
tert-Butyl N-[[5-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methyl-butanoyl]amino]propanoyl]amino]-2-(hydroxymethyl)phenyl]methyl]-N-methyl-carbamate
CAS 2857963-18-7C32H47N5O8
MC-Val-cit-pab-gly chemical structure, C31H43N7O10, CAS 3051960-05-2
MC-Val-cit-pab-gly
CAS 3051960-05-2C31H43N7O10
MC-Val-Ala-PAB-3-(Boc-EN-amide)-OH chemical structure, C33H48N6O9, CAS 2857963-53-0
MC-Val-Ala-PAB-3-(Boc-EN-amide)-OH
CAS 2857963-53-0C33H48N6O9