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Murcko scaffold

Ring system with 4 rings and 14 atoms

7 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
14
Chemicals
7
With full pages
4
Scaffold SMILES

c1ccc2c(c1)CC1ON2CC2NC21

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 c1ccc2c(c1)CC1ON2CC2NC21

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 7 of 7 chemicals

(7,9-Dihydroxy-5-(hydroxymethyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno(2,3-c)(1)benzazocin-8-yl)methyl hydrogen carbonimidate chemical structure, C14H17N3O6, CAS 102409-60-9
(7,9-Dihydroxy-5-(hydroxymethyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno(2,3-c)(1)benzazocin-8-yl)methyl hydrogen carbonimidate
CAS 102409-60-9C14H17N3O6
(5-Formyl-7,9-dihydroxy-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno(2,3-c)(1)benzazocin-8-yl)methyl hydrogen carbonimidate chemical structure, C14H15N3O6, CAS 102363-08-6
(5-Formyl-7,9-dihydroxy-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno(2,3-c)(1)benzazocin-8-yl)methyl hydrogen carbonimidate
CAS 102363-08-6C14H15N3O6
FR 66973 chemical structure, C20H21N3O9, CAS 113202-60-1
FR 66973
CAS 113202-60-1C20H21N3O9
(1aS,3S,8R,9S,9aS)-1-Acetyl-7,9-bis(acetyloxy)-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxy-3H-azirino(2,3-c)(1)benzazocine-5-carboxaldehyde chemical structure, C20H21N3O9, CAS 114580-45-9
(1aS,3S,8R,9S,9aS)-1-Acetyl-7,9-bis(acetyloxy)-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxy-3H-azirino(2,3-c)(1)benzazocine-5-carboxaldehyde
CAS 114580-45-9C20H21N3O9
FR 66980 chemical structure, C16H17N3O7, CAS 102409-49-4
FR 66980
CAS 102409-49-4C16H17N3O7
[(8R,9S,10S,12S)-4-Formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl carbamate chemical structure, C14H15N3O6, CAS 108814-63-7
[(8R,9S,10S,12S)-4-Formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl carbamate
CAS 108814-63-7C14H15N3O6
FK-317 chemical structure, C19H21N3O8, CAS 102409-92-7
FK-317
CAS 102409-92-7C19H21N3O8