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Murcko scaffold

Ring system with 5 rings and 28 atoms

7 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
7
With full pages
1
Scaffold SMILES

C(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1

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 C(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1

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 7 of 7 chemicals

3-(1,3-Benzothiazol-2-yl)-4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]but-3-enoic acid chemical structure, C27H21N3O3S, CAS 926189-73-3
3-(1,3-Benzothiazol-2-yl)-4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]but-3-enoic acid
CAS 926189-73-3C27H21N3O3S
(E)-2-(Benzo[d]thiazol-2-yl)-3-(3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile chemical structure, C26H17FN4OS, CAS 956987-06-7
(E)-2-(Benzo[d]thiazol-2-yl)-3-(3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile
CAS 956987-06-7C26H17FN4OS
4-{4-[(E)-2-(1,3-Benzothiazol-2-yl)-2-cyanoethenyl]-1-phenyl-1H-pyrazol-3-YL}-N,N-dimethylbenzenesulfonamide chemical structure, C27H21N5O2S2, CAS 624725-92-4
4-{4-[(E)-2-(1,3-Benzothiazol-2-yl)-2-cyanoethenyl]-1-phenyl-1H-pyrazol-3-YL}-N,N-dimethylbenzenesulfonamide
CAS 624725-92-4C27H21N5O2S2
(E)-3-(4-(2-(Benzo[d]thiazol-2-yl)-2-cyanovinyl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide chemical structure, C27H21N5O2S2, CAS 1009469-69-5
(E)-3-(4-(2-(Benzo[d]thiazol-2-yl)-2-cyanovinyl)-1-phenyl-1H-pyrazol-3-yl)-N,N-dimethylbenzenesulfonamide
CAS 1009469-69-5C27H21N5O2S2
(2Z)-2-(1,3-Benzothiazol-2-yl)-3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile chemical structure, C27H20N4S2, CAS 1009434-33-6
(2Z)-2-(1,3-Benzothiazol-2-yl)-3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
CAS 1009434-33-6C27H20N4S2
(Z)-2-(1,3-Benzothiazol-2-yl)-3-[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile chemical structure, C29H24N4S2, CAS 1009435-52-2
(Z)-2-(1,3-Benzothiazol-2-yl)-3-[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CAS 1009435-52-2C29H24N4S2
(2Z)-2-(1,3-Benzothiazol-2-yl)-3-[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile chemical structure, C27H20N4OS, CAS 1008884-68-1
(2Z)-2-(1,3-Benzothiazol-2-yl)-3-[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
CAS 1008884-68-1C27H20N4OS