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Murcko scaffold

Ring system with 3 rings and 19 atoms

11 chemicals on CompoundList share this ring system.

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

O=C(CC1=CCC=CC1)NC1C(=O)N2C=CCSC12

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(CC1=CCC=CC1)NC1C(=O)N2C=CCSC12

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 11 of 11 chemicals

Cephradine chemical structure, C16H19N3O4S, CAS 38821-53-3
Cephradine
CAS 38821-53-3C16H19N3O4S
Cephradine dihydrate chemical structure, C16H23N3O6S, CAS 31828-50-9
Cephradine dihydrate
CAS 31828-50-9C16H23N3O6S
Cefroxadine chemical structure, C16H19N3O5S, CAS 51762-05-1
Cefroxadine
CAS 51762-05-1C16H19N3O5S
Cefradine chirality isomer chemical structure, C16H19N3O4S, CAS 30959-67-2
Cefradine chirality isomer
CAS 30959-67-2C16H19N3O4S
Cephradine monohydrate chemical structure, C16H21N3O5S, CAS 75975-70-1
Cephradine monohydrate
CAS 75975-70-1C16H21N3O5S
Cephradine sodium chemical structure, C16H18N3NaO4S, CAS 57584-26-6
Cephradine sodium
CAS 57584-26-6C16H18N3NaO4S
Cefroxadine dihydrate chemical structure, C16H23N3O7S, CAS 95615-72-8
Cefroxadine dihydrate
CAS 95615-72-8C16H23N3O7S
(6R-(6Alpha,7beta(R*)))-7-(aminocyclohexa-1,4-dien-1-ylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid monohydrochloride chemical structure, C16H20ClN3O4S, CAS 94088-87-6
(6R-(6Alpha,7beta(R*)))-7-(aminocyclohexa-1,4-dien-1-ylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid monohydrochloride
CAS 94088-87-6C16H20ClN3O4S
Cephradine lysinate chemical structure, C22H33N5O6S, CAS 68641-66-7
Cephradine lysinate
CAS 68641-66-7C22H33N5O6S
Cephradine (1102805) chemical structure, C16H23N3O6S, CAS 58456-86-3
Cephradine (1102805)
CAS 58456-86-3C16H23N3O6S
(6R,7R)-7-[[(2R)-2-Amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid chemical structure, C22H33N7O6S, CAS 85760-50-5
(6R,7R)-7-[[(2R)-2-Amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
CAS 85760-50-5C22H33N7O6S