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Murcko scaffold

Ring system with 3 rings and 19 atoms

46 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
46
With full pages
11
Scaffold SMILES

O=C(COc1ccccc1)NC1C(=O)N2CCSC12

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(COc1ccccc1)NC1C(=O)N2CCSC12

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 46 of 46 chemicals

3,3-Dimethyl-7-oxo-6-[(2-phenoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid chemical structure, C17H20N2O5S, CAS 910024-37-2
3,3-Dimethyl-7-oxo-6-[(2-phenoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS 910024-37-2C17H20N2O5S
Penicillin V chemical structure, C16H18N2O5S, CAS 87-08-1
Penicillin V
CAS 87-08-1C16H18N2O5S
Penicillin V benzathine chemical structure, C48H56N6O10S2, CAS 5928-84-7
Penicillin V benzathine
CAS 5928-84-7C48H56N6O10S2
L-Propicillin chemical structure, C18H22N2O5S, CAS 10328-25-3
L-Propicillin
CAS 10328-25-3C18H22N2O5S
Propicillin chemical structure, C18H22N2O5S, CAS 551-27-9
Propicillin
CAS 551-27-9C18H22N2O5S
Sulfapen chemical structure, C27H30N6O8S2, CAS 130030-60-3
Sulfapen
CAS 130030-60-3C27H30N6O8S2
Penicillin V calcium chemical structure, C32H34CaN4O10S2, CAS 147-48-8
Penicillin V calcium
CAS 147-48-8C32H34CaN4O10S2
4-Hydroxypenicillin V chemical structure, C16H18N2O6S, CAS 20880-67-5
4-Hydroxypenicillin V
CAS 20880-67-5C16H18N2O6S
Levopropicillin chemical structure, C18H22N2O5S, CAS 3736-12-7
Levopropicillin
CAS 3736-12-7C18H22N2O5S
o-Chlorophenoxymethyl penicillin chemical structure, C16H17ClN2O5S, CAS 56807-84-2
o-Chlorophenoxymethyl penicillin
CAS 56807-84-2C16H17ClN2O5S
6-((2-(2,4-Dinitrophenoxy)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid chemical structure, C16H16N4O9S, CAS 36214-20-7
6-((2-(2,4-Dinitrophenoxy)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
CAS 36214-20-7C16H16N4O9S
6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid chemical structure, C17H20N2O5S, CAS 525-92-8
6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid
CAS 525-92-8C17H20N2O5S
Phenethicillin chemical structure, C17H20N2O5S, CAS 147-55-7
Phenethicillin
CAS 147-55-7C17H20N2O5S
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-, methyl ester chemical structure, C17H20N2O5S, CAS 2315-05-1
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-, methyl ester
CAS 2315-05-1C17H20N2O5S
Isopropicillin chemical structure, C18H22N2O5S, CAS 4780-24-9
Isopropicillin
CAS 4780-24-9C18H22N2O5S
Epiphenethicillin chemical structure, C17H20N2O5S, CAS 7177-41-5
Epiphenethicillin
CAS 7177-41-5C17H20N2O5S
Phenoxymethylpenicillin benzathine chemical structure, C48H64N6O14S2, CAS 2113728-41-7
Phenoxymethylpenicillin benzathine
CAS 2113728-41-7C48H64N6O14S2
(2S,5R,6S)-6-Methoxy-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid chemical structure, C17H20N2O6S, CAS 35353-34-5
(2S,5R,6S)-6-Methoxy-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS 35353-34-5C17H20N2O6S
Potassium 3,3-dimethyl-7-oxo-6-(2-phenoxypropanamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioate chemical structure, C17H19KN2O4S2, CAS 23277-62-5
Potassium 3,3-dimethyl-7-oxo-6-(2-phenoxypropanamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioate
CAS 23277-62-5C17H19KN2O4S2
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxybutyramido)-, sodium salt chemical structure, C18H21N2NaO5S, CAS 31090-17-2
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxybutyramido)-, sodium salt
CAS 31090-17-2C18H21N2NaO5S
Levopropylcillin potassium chemical structure, C18H21KN2O5S, CAS 4803-44-5
Levopropylcillin potassium
CAS 4803-44-5C18H21KN2O5S
Phenethicillin potassium chemical structure, C17H19KN2O5S, CAS 132-93-4
Phenethicillin potassium
CAS 132-93-4C17H19KN2O5S
Penicillin V potassium chemical structure, C16H17KN2O5S, CAS 132-98-9
Penicillin V potassium
CAS 132-98-9C16H17KN2O5S
Propicillin potassium chemical structure, C18H21KN2O5S, CAS 1245-44-9
Propicillin potassium
CAS 1245-44-9C18H21KN2O5S