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Murcko scaffold

Ring system with 3 rings and 24 atoms

11 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
24
Chemicals
11
With full pages
1
Scaffold SMILES

O=C(Oc1ccc(OC(=O)C2CCCCC2)cc1)C1CCCCC1

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(Oc1ccc(OC(=O)C2CCCCC2)cc1)C1CCCCC1

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

4-[(Cyclohexylcarbonyl)oxy]-2-methylphenyl cyclohexanecarboxylate chemical structure, C21H28O4, CAS 791840-57-8
4-[(Cyclohexylcarbonyl)oxy]-2-methylphenyl cyclohexanecarboxylate
CAS 791840-57-8C21H28O4
b4cHCaAdCP chemical structure, C30H40N2O4, CAS 75414-72-1
b4cHCaAdCP
CAS 75414-72-1C30H40N2O4
[4-(4-tert-Butylcyclohexanecarbonyl)oxyphenyl] 4-tert-butylcyclohexane-1-carboxylate chemical structure, C28H42O4, CAS 328117-33-5
[4-(4-tert-Butylcyclohexanecarbonyl)oxyphenyl] 4-tert-butylcyclohexane-1-carboxylate
CAS 328117-33-5C28H42O4
b3cHCaAdCP chemical structure, C28H36N2O4, CAS 2227142-02-9
b3cHCaAdCP
CAS 2227142-02-9C28H36N2O4
b5cHCaAdCP chemical structure, C32H44N2O4, CAS 75414-73-2
b5cHCaAdCP
CAS 75414-73-2C32H44N2O4
2,5-Bis[[(trans-4-pentylcyclohexyl)carbonyl]oxy]benzoic acid chemical structure, C31H46O6, CAS 360053-41-4
2,5-Bis[[(trans-4-pentylcyclohexyl)carbonyl]oxy]benzoic acid
CAS 360053-41-4C31H46O6
(Trans,trans)-6-[4-[[3-methyl-4-[4-[(6-prop-2-enoyloxyhexyl)oxycarbonyl]cyclohexylcarbonyloxy]phenyl]oxycarbonyl]cyclohexylcarbonyloxy]hexyl prop-2-enoate chemical structure, C41H56O12, CAS 1699766-12-5
(Trans,trans)-6-[4-[[3-methyl-4-[4-[(6-prop-2-enoyloxyhexyl)oxycarbonyl]cyclohexylcarbonyloxy]phenyl]oxycarbonyl]cyclohexylcarbonyloxy]hexyl prop-2-enoate
CAS 1699766-12-5C41H56O12
Rel-4-(((1s,4r)-4-butylcyclohexane-1-carbonyl)oxy)phenyl (1s,4r)-4-propylcyclohexane-1-carboxylate chemical structure, C27H40O4, CAS 175784-00-6
Rel-4-(((1s,4r)-4-butylcyclohexane-1-carbonyl)oxy)phenyl (1s,4r)-4-propylcyclohexane-1-carboxylate
CAS 175784-00-6C27H40O4
5cHCaA3cHCaAP chemical structure, C28H42O4, CAS 175784-01-7
5cHCaA3cHCaAP
CAS 175784-01-7C28H42O4
5cHCaA4cHCaAP chemical structure, C29H44O4, CAS 175784-02-8
5cHCaA4cHCaAP
CAS 175784-02-8C29H44O4
b2cHCaAdCP chemical structure, C26H32N2O4, CAS 2227142-01-8
b2cHCaAdCP
CAS 2227142-01-8C26H32N2O4