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Murcko scaffold

Ring system with 5 rings and 29 atoms

13 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
29
Chemicals
13
With full pages
5
Scaffold SMILES

O=C(CC1CCCC2(CCCC(Cc3nc4ccccc4o3)O2)O1)c1ccc[nH]1

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(CC1CCCC2(CCCC(Cc3nc4ccccc4o3)O2)O1)c1ccc[nH]1

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 13 of 13 chemicals

(2E,4E,6E)-2,4,6-Nonatrien-1-ol chemical structure, C29H37N3O6, CAS 204014-48-2
(2E,4E,6E)-2,4,6-Nonatrien-1-ol
CAS 204014-48-2C29H37N3O6
4-Bromo-A-23187 chemical structure, C29H36BrN3O6, CAS 76455-48-6
4-Bromo-A-23187
CAS 76455-48-6C29H36BrN3O6
3-Hydroxycezomycin chemical structure, C28H34N2O7, CAS 104414-30-4
3-Hydroxycezomycin
CAS 104414-30-4C28H34N2O7
Antibiotic X 14885A chemical structure, C27H32N2O7, CAS 83917-57-1
Antibiotic X 14885A
CAS 83917-57-1C27H32N2O7
6-Bromo-5-(methylamino)-2-({3,9,11-trimethyl-8-[1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-2-yl}methyl)-1,3-benzoxazole-4-carboxylic acid chemical structure, C29H36BrN3O6, CAS 76455-82-8
6-Bromo-5-(methylamino)-2-({3,9,11-trimethyl-8-[1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-2-yl}methyl)-1,3-benzoxazole-4-carboxylic acid
CAS 76455-82-8C29H36BrN3O6
Calcimycin chemical structure, C29H37N3O6, CAS 52665-69-7
Calcimycin
CAS 52665-69-7C29H37N3O6
Calcimycin hemimagnesium chemical structure, C58H72MgN6O12
Calcimycin hemimagnesium
C58H72MgN6O12
Calcium ionophore a23187 hemimagnesium salt chemical structure, C58H72MgN6O12, CAS 72124-77-7
Calcium ionophore a23187 hemimagnesium salt
CAS 72124-77-7C58H72MgN6O12
Calcium Ionophore A23187 hemicalcium salt chemical structure, C58H72CaN6O12, CAS 59450-89-4
Calcium Ionophore A23187 hemicalcium salt
CAS 59450-89-4C58H72CaN6O12
Antibiotic X 14885A sodium salt hydrate chemical structure, C27H31N2NaO7, CAS 83874-20-8
Antibiotic X 14885A sodium salt hydrate
CAS 83874-20-8C27H31N2NaO7
Calcium bis(5-(methylamino)-2-[[3,5,9-trimethyl-2-[1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylate) chemical structure, C58H72CaN6O12
Calcium bis(5-(methylamino)-2-[[3,5,9-trimethyl-2-[1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylate)
C58H72CaN6O12
Calcium bis(5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylate) chemical structure, C58H72CaN6O12
Calcium bis(5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylate)
C58H72CaN6O12
Cezomycin chemical structure, C28H34N2O6, CAS 83874-22-0
Cezomycin
CAS 83874-22-0C28H34N2O6