Murcko scaffold

4-(2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-phenylpiperazine-1-carbothioamide scaffold

12 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 32
Chemicals: 12
With full pages: 7

Scaffold SMILES

O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C(=S)Nc2ccccc2)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 Open the 4-(2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-phenylpiperazine-1-carbothioamide page

Murcko scaffold O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C(=S)Nc2ccccc2)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 12 of 12 chemicals

N-(4-Chlorophenyl)-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide

CAS 327093-43-6C₂₅H₂₃ClN₄O₂S

4-[2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide

CAS 442557-39-3C₂₇H₂₈N₄O₃S

4-[2-(1,3-Dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-(4-methylphenyl)-1-piperazinecarbothioamide

CAS 442557-38-2C₂₆H₂₆N₄O₂S

N-(4-Acetylphenyl)-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide

CAS 496777-33-4C₂₇H₂₆N₄O₃S

4-(2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide

CAS 496777-50-5C₂₆H₂₆N₄O₃S

N-(3-Acetylphenyl)-4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-1-piperazinecarbothioamide

CAS 637320-49-1C₂₇H₂₆N₄O₃S

N-[3-(Difluoromethylsulfonyl)phenyl]-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide

CAS 690249-51-5C₂₆H₂₄F₂N₄O₄S₂

4-(2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-phenylpiperazine-1-carbothioamide

CAS 304645-31-6C₂₅H₂₄N₄O₂S

$N-(4-Chloro-2-fluorophenyl)-4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl)piperazine-1-carbothioamide chemical structure, C25H22ClFN4O2S, CAS 327093-20-9$

N-(4-Chloro-2-fluorophenyl)-4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl)piperazine-1-carbothioamide

CAS 327093-20-9C₂₅H₂₂ClFN₄O₂S

N-(4-(Difluoromethoxy)phenyl)-4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)piperazine-1-carbothioamide

CAS 500267-66-3C₂₆H₂₄F₂N₄O₃S

N-(2,3-Dichlorophenyl)-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide

CAS 442557-44-0C₂₅H₂₂Cl₂N₄O₂S

4-(2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(4-fluorophenyl)piperazine-1-carbothioamide

CAS 500267-28-7C₂₅H₂₃FN₄O₂S

4-(2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-phenylpiperazine-1-carbothioamide scaffold

Chemicals with this scaffold

Related scaffolds