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Murcko scaffold

Ring system with 1 ring and 25 atoms

8 chemicals on CompoundList share this ring system.

Rings
1
Scaffold atoms
25
Chemicals
8
With full pages
2
Scaffold SMILES

O=C1C=CCC=CC=CCCC=CC=CCCCC=CC=CCCO1

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=C1C=CCC=CC=CCCC=CC=CCCCC=CC=CCCO1

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 8 of 8 chemicals

Iejimalide B chemical structure, C41H60N2O7, CAS 117582-92-0
Iejimalide B
CAS 117582-92-0C41H60N2O7
Iejimalide A chemical structure, C40H58N2O7, CAS 117582-91-9
Iejimalide A
CAS 117582-91-9C40H58N2O7
Iejimalide C free acid chemical structure, C40H58N2O10S, CAS 708203-73-0
Iejimalide C free acid
CAS 708203-73-0C40H58N2O10S
Iejimalide C chemical structure, C40H57N2NaO10S, CAS 133613-80-6
Iejimalide C
CAS 133613-80-6C40H57N2NaO10S
Iejimalide D chemical structure, C41H59N2NaO10S, CAS 133613-81-7
Iejimalide D
CAS 133613-81-7C41H59N2NaO10S
Iejimalide D free acid chemical structure, C41H60N2O10S, CAS 780005-85-8
Iejimalide D free acid
CAS 780005-85-8C41H60N2O10S
(2S)-N-[(2E,4E)-5-[(3S,4E,6E,8R,11E,13E,16S,17E,19E,21R,22E)-8,16-Dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide chemical structure, C41H60N2O7
(2S)-N-[(2E,4E)-5-[(3S,4E,6E,8R,11E,13E,16S,17E,19E,21R,22E)-8,16-Dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide
C41H60N2O7
(2S)-N-[(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17E,19E,21R,22E)-8,16-Dimethoxy-3,12,18,21,23-pentamethyl-24-oxooxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-2,4-hexadien-1-yl]-2-(formylamino)-3-hydroxypropanamide chemical structure, C41H60N2O7
(2S)-N-[(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17E,19E,21R,22E)-8,16-Dimethoxy-3,12,18,21,23-pentamethyl-24-oxooxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-2,4-hexadien-1-yl]-2-(formylamino)-3-hydroxypropanamide
C41H60N2O7