CompoundList
Sign in
Murcko scaffold

Ring system with 7 rings and 35 atoms

20 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
35
Chemicals
20
With full pages
2
Scaffold SMILES

O=C1C2C3CCC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(c2nsc3ccccc23)CC1

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=C1C2C3CCC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(c2nsc3ccccc23)CC1

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 20 of 20 chemicals

Lurasidone chemical structure, C28H36N4O2S, CAS 367514-87-2
Lurasidone
CAS 367514-87-2C28H36N4O2S
(3AR,4R,7S,7aS)-2-(((1R,2R)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione chemical structure, C28H36N4O2S, CAS 1318074-25-7
(3AR,4R,7S,7aS)-2-(((1R,2R)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CAS 1318074-25-7C28H36N4O2S
Lurasidone hydrochloride chemical structure, C28H37ClN4O2S, CAS 367514-88-3
Lurasidone hydrochloride
CAS 367514-88-3C28H37ClN4O2S
ent-Lurasidone chemical structure, C28H36N4O2S, CAS 1448443-35-3
ent-Lurasidone
CAS 1448443-35-3C28H36N4O2S
ent-Lurasidone Hydrochloride chemical structure, C28H37ClN4O2S, CAS 139563-29-4
ent-Lurasidone Hydrochloride
CAS 139563-29-4C28H37ClN4O2S
(3aR,4S,7R,7aS)-2-((cis-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione chemical structure, C28H36N4O2S, CAS 1318074-18-8
(3aR,4S,7R,7aS)-2-((cis-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CAS 1318074-18-8C28H36N4O2S
(3aR,4R,7S,7aS)-2-((cis-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione chemical structure, C28H36N4O2S, CAS 1318074-22-4
(3aR,4R,7S,7aS)-2-((cis-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CAS 1318074-22-4C28H36N4O2S
Lurasidone impurity D chemical structure, C28H36N4O2S, CAS 1318074-19-9
Lurasidone impurity D
CAS 1318074-19-9C28H36N4O2S
Lurasidone impurity E chemical structure, C28H36N4O2S, CAS 1318074-24-6
Lurasidone impurity E
CAS 1318074-24-6C28H36N4O2S
Endo lurasidone hydrochloride chemical structure, C28H37ClN4O2S, CAS 194861-74-0
Endo lurasidone hydrochloride
CAS 194861-74-0C28H37ClN4O2S
Lurasidone piperazine N-oxide chemical structure, C28H36N4O3S, CAS 1574569-32-6
Lurasidone piperazine N-oxide
CAS 1574569-32-6C28H36N4O3S
Lurasidone metabolite 14283 chemical structure, C28H36N4O3S, CAS 186204-31-9
Lurasidone metabolite 14283
CAS 186204-31-9C28H36N4O3S
Lurasidone metabolite 14326 chemical structure, C28H36N4O3S, CAS 186204-33-1
Lurasidone metabolite 14326
CAS 186204-33-1C28H36N4O3S
Lurasidone metabolite 14326 D8 chemical structure, C28H36N4O3S, CAS 2070009-33-3
Lurasidone metabolite 14326 D8
CAS 2070009-33-3C28H36N4O3S
Lurasidone-d8 chemical structure, C28H36N4O2S, CAS 1132654-54-6
Lurasidone-d8
CAS 1132654-54-6C28H36N4O2S
(3AR,4R,7S,7aS)-2-(((1S,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione chemical structure, C28H36N4O2S, CAS 1318074-27-9
(3AR,4R,7S,7aS)-2-(((1S,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CAS 1318074-27-9C28H36N4O2S
Lurasidone Metabolite 14283 hydrochloride chemical structure, C28H37ClN4O3S, CAS 186204-32-0
Lurasidone Metabolite 14283 hydrochloride
CAS 186204-32-0C28H37ClN4O3S
Lurasidone metabolite 14326 hydrochloride chemical structure, C28H37ClN4O3S, CAS 2446700-69-0
Lurasidone metabolite 14326 hydrochloride
CAS 2446700-69-0C28H37ClN4O3S
Lurasidone metabolite M9 chemical structure, C28H36N4O3S, CAS 1796569-32-8
Lurasidone metabolite M9
CAS 1796569-32-8C28H36N4O3S
Lurasidone metabolite M8 chemical structure, C28H36N4O3S, CAS 1809349-30-1
Lurasidone metabolite M8
CAS 1809349-30-1C28H36N4O3S