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Murcko scaffold

Ring system with 4 rings and 20 atoms

279 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
20
Chemicals
279
With full pages
63
Scaffold SMILES

O=C1C=CC2C(=O)C3=Cc4ccccc4CC3CC2C1

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=CC2C(=O)C3=Cc4ccccc4CC3CC2C1

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 48 of 279 chemicals

Dicalcium, (4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-12a-hydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-1,5,10,11-tetrolate chemical structure, C22H20Ca2N2O8
Dicalcium, (4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-12a-hydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-1,5,10,11-tetrolate
C22H20Ca2N2O8
Oxytetracycline hemicalcium salt chemical structure, C22H22CaN2O9, CAS 15251-48-6
Oxytetracycline hemicalcium salt
CAS 15251-48-6C22H22CaN2O9
(1S,4aR,11R,11aS,12aS)-3-Acetyl-1-amino-4,4a,6,7,11-pentahydroxy-8,11-dimethyl-11,11a,12,12a-tetrahydrotetracene-2,5(1H,4ah)-dione chemical structure, C22H23NO8, CAS 81919-29-1
(1S,4aR,11R,11aS,12aS)-3-Acetyl-1-amino-4,4a,6,7,11-pentahydroxy-8,11-dimethyl-11,11a,12,12a-tetrahydrotetracene-2,5(1H,4ah)-dione
CAS 81919-29-1C22H23NO8
(4S,4aS,5aS,6S,12aR)-4-(Dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carbonitrile chemical structure, C22H22N2O7, CAS 4199-33-1
(4S,4aS,5aS,6S,12aR)-4-(Dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carbonitrile
CAS 4199-33-1C22H22N2O7
3-Acetyl-1-(dimethylamino)-4,4a,6,7,11,12-hexahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione chemical structure, C23H25NO9, CAS 6986-98-7
3-Acetyl-1-(dimethylamino)-4,4a,6,7,11,12-hexahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
CAS 6986-98-7C23H25NO9
Epitetracycline ammonium salt chemical structure, C22H27N3O8, CAS 16505-45-6
Epitetracycline ammonium salt
CAS 16505-45-6C22H27N3O8
(1S,4aR,11S,11aS,12aS)-3-Acetyl-1-(dimethylamino)-4,4a,6,7,11-pentahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione chemical structure, C23H25NO8, CAS 6542-44-5
(1S,4aR,11S,11aS,12aS)-3-Acetyl-1-(dimethylamino)-4,4a,6,7,11-pentahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
CAS 6542-44-5C23H25NO8
Calcium bis(2-carbamoyl-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracen-1-olate) chemical structure, C44H46CaN4O18
Calcium bis(2-carbamoyl-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracen-1-olate)
C44H46CaN4O18
4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboximidic acid chemical structure, C22H24N2O8, CAS 7164-70-7
4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboximidic acid
CAS 7164-70-7C22H24N2O8
Tetracycline chemical structure, C22H24N2O8, CAS 60-54-8
Tetracycline
CAS 60-54-8C22H24N2O8
Chlortetracycline chemical structure, C22H23ClN2O8, CAS 57-62-5
Chlortetracycline
CAS 57-62-5C22H23ClN2O8
Terramycin chemical structure, C22H24N2O9, CAS 79-57-2
Terramycin
CAS 79-57-2C22H24N2O9
Minocycline chemical structure, C23H27N3O7, CAS 10118-90-8
Minocycline
CAS 10118-90-8C23H27N3O7
9-Aminominocycline chemical structure, C23H28N4O7, CAS 149934-19-0
9-Aminominocycline
CAS 149934-19-0C23H28N4O7
4-Epidoxycycline chemical structure, C22H24N2O8, CAS 6543-77-7
4-Epidoxycycline
CAS 6543-77-7C22H24N2O8
Doxycycline hydrochloride dihydrate chemical structure, C22H29ClN2O10, CAS 69935-17-7
Doxycycline hydrochloride dihydrate
CAS 69935-17-7C22H29ClN2O10
Tetracycline paraminosalicylate chemical structure, C29H31N3O11, CAS 72283-97-7
Tetracycline paraminosalicylate
CAS 72283-97-7C29H31N3O11
7-Didemethyl minocycline chemical structure, C21H23N3O7, CAS 5679-00-5
7-Didemethyl minocycline
CAS 5679-00-5C21H23N3O7
(4S,4aS,5aS,6S,12aR)-7-Bromo-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide chemical structure, C22H23BrN2O8
(4S,4aS,5aS,6S,12aR)-7-Bromo-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
C22H23BrN2O8
Biomycin chemical structure, C22H23ClN2O8, CAS 14297-93-9
Biomycin
CAS 14297-93-9C22H23ClN2O8
(4S,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide chemical structure, C22H24N2O8, CAS 1640133-28-3
(4S,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
CAS 1640133-28-3C22H24N2O8
4-Epioxytetracycline chemical structure, C22H24N2O9, CAS 14206-58-7
4-Epioxytetracycline
CAS 14206-58-7C22H24N2O9
4-Epichlortetracycline chemical structure, C22H23ClN2O8
4-Epichlortetracycline
C22H23ClN2O8
Metastat chemical structure, C19H17NO7, CAS 15866-90-7
Metastat
CAS 15866-90-7C19H17NO7