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Murcko scaffold

Ring system with 4 rings and 21 atoms

15 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 21
Chemicals: 15
With full pages: 3

Scaffold SMILES

C=C1c2ccccc2C=C2C(=O)C3C=CC(=O)CC3CC12

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 C=C1c2ccccc2C=C2C(=O)C3C=CC(=O)CC3CC12

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 15 of 15 chemicals

Methacycline chemical structure, C22H22N2O8, CAS 914-00-1

CAS 914-00-1C₂₂H₂₂N₂O₈

Meclocycline sulfosalicylate chemical structure, C29H27ClN2O14S, CAS 73816-42-9

Meclocycline sulfosalicylate

CAS 73816-42-9C₂₉H₂₇ClN₂O₁₄S

Meclocycline chemical structure, C22H21ClN2O8, CAS 2013-58-3

CAS 2013-58-3C₂₂H₂₁ClN₂O₈

Methacycline hydrochloride chemical structure, C22H23ClN2O8, CAS 3963-95-9

Methacycline hydrochloride

CAS 3963-95-9C₂₂H₂₃ClN₂O₈

4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide--hydrogen chloride (1/1) chemical structure, C22H23ClN2O8, CAS 3963-45-9

4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide--hydrogen chloride (1/1)

CAS 3963-45-9C₂₂H₂₃ClN₂O₈

Methacycline trolamine chemical structure, C26H33N3O11, CAS 41672-87-1

Methacycline trolamine

CAS 41672-87-1C₂₆H₃₃N₃O₁₁

(4S,4aR,5S,5aR,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, dodecylsulfamic acid chemical structure, C34H49N3O11S, CAS 71720-32-6

(4S,4aR,5S,5aR,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, dodecylsulfamic acid

CAS 71720-32-6C₃₄H₄₉N₃O₁₁S

(4S,4aR,5S,5aR,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, hexylsulfamic acid chemical structure, C28H37N3O11S, CAS 71720-33-7

(4S,4aR,5S,5aR,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, hexylsulfamic acid

CAS 71720-33-7C₂₈H₃₇N₃O₁₁S

(4S,4aR,5S,5aR,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, dodecyl hydrogen sulfate chemical structure, C34H48N2O12S, CAS 71720-34-8

(4S,4aR,5S,5aR,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, dodecyl hydrogen sulfate

CAS 71720-34-8C₃₄H₄₈N₂O₁₂S

(4S,4aR,5S,5aR,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, (2S)-5-oxopyrrolidine-2-carboxylic acid chemical structure, C27H29N3O11, CAS 93963-61-2

(4S,4aR,5S,5aR,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, (2S)-5-oxopyrrolidine-2-carboxylic acid

CAS 93963-61-2C₂₇H₂₉N₃O₁₁

(4S,4aR,5S,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide chemical structure, C22H22N2O8, CAS 1257900-96-1

(4S,4aR,5S,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide

CAS 1257900-96-1C₂₂H₂₂N₂O₈

(4S,4aR,5S,5aS,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, hydrochloride chemical structure, C22H23ClN2O8, CAS 1257843-69-8

(4S,4aR,5S,5aS,12aR)-4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, hydrochloride

CAS 1257843-69-8C₂₂H₂₃ClN₂O₈

Methacycline 5-sulfosalicylate chemical structure, C29H28N2O14S, CAS 24358-92-7

Methacycline 5-sulfosalicylate

CAS 24358-92-7C₂₉H₂₈N₂O₁₄S

[(4S,4aR,5S,5aR,12aR)-2-Carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracen-5-yl] acetate chemical structure, C24H24N2O9, CAS 17353-56-9

[(4S,4aR,5S,5aR,12aR)-2-Carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracen-5-yl] acetate

CAS 17353-56-9C₂₄H₂₄N₂O₉

(4S,4aR,5S,5aR,12aS)-7-Bromo-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide chemical structure, C22H21BrN2O8, CAS 906331-37-1

(4S,4aR,5S,5aR,12aS)-7-Bromo-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide

CAS 906331-37-1C₂₂H₂₁BrN₂O₈