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Murcko scaffold

Ring system with 3 rings and 23 atoms

16 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
16
With full pages
9
Scaffold SMILES

O=C1CC(c2ccccc2)CC=C1C=NCCN1CCNCC1

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=C1CC(c2ccccc2)CC=C1C=NCCN1CCNCC1

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 16 of 16 chemicals

5-(4-Methylphenyl)-2-[(2-piperazin-1-ylethylamino)methylidene]cyclohexane-1,3-dione chemical structure, C20H27N3O2, CAS 299934-78-4
5-(4-Methylphenyl)-2-[(2-piperazin-1-ylethylamino)methylidene]cyclohexane-1,3-dione
CAS 299934-78-4C20H27N3O2
2-({[2-(4-Acetylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-methoxyphenyl)cyclohexane-1,3-dione chemical structure, C22H29N3O4, CAS 351163-57-0
2-({[2-(4-Acetylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
CAS 351163-57-0C22H29N3O4
5-(3,4-Dimethoxyphenyl)-2-[(2-piperazin-1-ylethylamino)methylidene]cyclohexane-1,3-dione chemical structure, C21H29N3O4, CAS 304449-54-5
5-(3,4-Dimethoxyphenyl)-2-[(2-piperazin-1-ylethylamino)methylidene]cyclohexane-1,3-dione
CAS 304449-54-5C21H29N3O4
5-Phenyl-2-{[(2-piperazin-1-ylethyl)amino]methylene}cyclohexane-1,3-dione chemical structure, C19H25N3O2, CAS 297160-31-7
5-Phenyl-2-{[(2-piperazin-1-ylethyl)amino]methylene}cyclohexane-1,3-dione
CAS 297160-31-7C19H25N3O2
5-(4-Chlorophenyl)-2-{[(2-piperazin-1-ylethyl)amino]methylene}cyclohexane-1,3-dione chemical structure, C19H24ClN3O2, CAS 299935-27-6
5-(4-Chlorophenyl)-2-{[(2-piperazin-1-ylethyl)amino]methylene}cyclohexane-1,3-dione
CAS 299935-27-6C19H24ClN3O2
5-(4-Methoxyphenyl)-2-[(2-piperazin-1-ylethylamino)methylidene]cyclohexane-1,3-dione chemical structure, C20H27N3O3, CAS 351163-56-9
5-(4-Methoxyphenyl)-2-[(2-piperazin-1-ylethylamino)methylidene]cyclohexane-1,3-dione
CAS 351163-56-9C20H27N3O3
4-[2-({[4-(4-Methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide chemical structure, C24H32N4O3S, CAS 757212-50-3
4-[2-({[4-(4-Methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
CAS 757212-50-3C24H32N4O3S
4-[2-({[4-(3,4-Dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide chemical structure, C25H34N4O4S, CAS 573974-38-6
4-[2-({[4-(3,4-Dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
CAS 573974-38-6C25H34N4O4S
5-(3,4-Dimethoxyphenyl)-2-({[2-(4-hexanoylpiperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione chemical structure, C27H39N3O5, CAS 757212-51-4
5-(3,4-Dimethoxyphenyl)-2-({[2-(4-hexanoylpiperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione
CAS 757212-51-4C27H39N3O5
5-(4-tert-Butylphenyl)-2-[(2-piperazin-1-ylethylamino)methylidene]cyclohexane-1,3-dione chemical structure, C23H33N3O2, CAS 433244-82-7
5-(4-tert-Butylphenyl)-2-[(2-piperazin-1-ylethylamino)methylidene]cyclohexane-1,3-dione
CAS 433244-82-7C23H33N3O2
5-(3,4-Dichlorophenyl)-2-{[(2-piperazin-1-ylethyl)amino]methylene}cyclohexane-1,3-dione chemical structure, C19H23Cl2N3O2, CAS 433249-71-9
5-(3,4-Dichlorophenyl)-2-{[(2-piperazin-1-ylethyl)amino]methylene}cyclohexane-1,3-dione
CAS 433249-71-9C19H23Cl2N3O2
4-[2-({[4-(3,4-Dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide chemical structure, C24H34N4O4S, CAS 585551-31-1
4-[2-({[4-(3,4-Dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
CAS 585551-31-1C24H34N4O4S
5-(4-tert-Butylphenyl)-2-({[2-(4-propanoylpiperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione chemical structure, C26H37N3O3, CAS 573669-23-5
5-(4-tert-Butylphenyl)-2-({[2-(4-propanoylpiperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione
CAS 573669-23-5C26H37N3O3
5-(4-Fluorophenyl)-2-{[(2-piperazin-1-ylethyl)-amino]methylene}cyclohexane-1,3-dione chemical structure, C19H24FN3O2, CAS 432532-88-2
5-(4-Fluorophenyl)-2-{[(2-piperazin-1-ylethyl)-amino]methylene}cyclohexane-1,3-dione
CAS 432532-88-2C19H24FN3O2
2-({[2-(4-Hexanoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-methoxyphenyl)cyclohexane-1,3-dione chemical structure, C26H37N3O4, CAS 578003-73-3
2-({[2-(4-Hexanoylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
CAS 578003-73-3C26H37N3O4
5-(4-Fluorophenyl)-2-({[2-(4-hexanoylpiperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione chemical structure, C25H34FN3O3, CAS 757212-52-5
5-(4-Fluorophenyl)-2-({[2-(4-hexanoylpiperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione
CAS 757212-52-5C25H34FN3O3