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Murcko scaffold

N-(2-(6-((2-(Benzylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide scaffold

11 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
32
Chemicals
11
With full pages
5
Scaffold SMILES

O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)NCc1ccccc1

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 scaffoldOpen the N-(2-(6-((2-(Benzylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide page
Murcko scaffold O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)NCc1ccccc1

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

N-[2-(6-{[(Benzylcarbamoyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-fluorobenzamide chemical structure, C23H21FN6O2S, CAS 897619-90-8
N-[2-(6-{[(Benzylcarbamoyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-4-fluorobenzamide
CAS 897619-90-8C23H21FN6O2S
4-Fluoro-N-(2-(6-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide chemical structure, C23H20F2N6O2S, CAS 897619-92-0
4-Fluoro-N-(2-(6-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide
CAS 897619-92-0C23H20F2N6O2S
N-(2-(6-((2-((2-Chlorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-fluorobenzamide chemical structure, C23H20ClFN6O2S, CAS 897612-96-3
N-(2-(6-((2-((2-Chlorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-fluorobenzamide
CAS 897612-96-3C23H20ClFN6O2S
N-(2-(6-((2-(Benzylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide chemical structure, C23H22N6O2S, CAS 872994-18-8
N-(2-(6-((2-(Benzylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide
CAS 872994-18-8C23H22N6O2S
N-(2-(6-((2-((4-Fluorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide chemical structure, C23H21FN6O2S, CAS 872994-19-9
N-(2-(6-((2-((4-Fluorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide
CAS 872994-19-9C23H21FN6O2S
N-(2-(6-((2-((2-Chlorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide chemical structure, C23H21ClN6O2S, CAS 872994-20-2
N-(2-(6-((2-((2-Chlorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide
CAS 872994-20-2C23H21ClN6O2S
N-(2-(6-((2-((4-Fluorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-methylbenzamide chemical structure, C24H23FN6O2S, CAS 872995-11-4
N-(2-(6-((2-((4-Fluorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-methylbenzamide
CAS 872995-11-4C24H23FN6O2S
N-(2-(6-((2-((2-Chlorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-methylbenzamide chemical structure, C24H23ClN6O2S, CAS 872995-13-6
N-(2-(6-((2-((2-Chlorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-methylbenzamide
CAS 872995-13-6C24H23ClN6O2S
N-(2-(6-((2-(Benzylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-methoxybenzamide chemical structure, C24H24N6O3S, CAS 872996-08-2
N-(2-(6-((2-(Benzylamino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-methoxybenzamide
CAS 872996-08-2C24H24N6O3S
N-(2-(6-((2-((4-Fluorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-methoxybenzamide chemical structure, C24H23FN6O3S, CAS 872996-09-3
N-(2-(6-((2-((4-Fluorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-methoxybenzamide
CAS 872996-09-3C24H23FN6O3S
N-(2-(6-((2-((2-Chlorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-methoxybenzamide chemical structure, C24H23ClN6O3S, CAS 872996-11-7
N-(2-(6-((2-((2-Chlorobenzyl)amino)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-methoxybenzamide
CAS 872996-11-7C24H23ClN6O3S