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Murcko scaffold

Ring system with 5 rings and 31 atoms

7 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
31
Chemicals
7
With full pages
1
Scaffold SMILES

O=C(Nc1cccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c1)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(Nc1cccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c1)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 7 of 7 chemicals

Thz1 chemical structure, C31H28ClN7O2, CAS 1604810-83-4
Thz1
CAS 1604810-83-4C31H28ClN7O2
N-[3-[[5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide chemical structure, C31H28ClN7O2, CAS 1604810-84-5
N-[3-[[5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CAS 1604810-84-5C31H28ClN7O2
THZ1 Hydrochloride chemical structure, C31H29Cl2N7O2, CAS 2070018-35-6
THZ1 Hydrochloride
CAS 2070018-35-6C31H29Cl2N7O2
N-[3-[[5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[4-(dimethylamino)butanoylamino]benzamide chemical structure, C31H30ClN7O2, CAS 1621523-07-6
N-[3-[[5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[4-(dimethylamino)butanoylamino]benzamide
CAS 1621523-07-6C31H30ClN7O2
N-(3-((5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide chemical structure, C31H28ClN7O2, CAS 2070018-34-5
N-(3-((5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CAS 2070018-34-5C31H28ClN7O2
THZ1 Dihydrochloride chemical structure, C31H30Cl3N7O2, CAS 2095433-94-4
THZ1 Dihydrochloride
CAS 2095433-94-4C31H30Cl3N7O2
Hdac1/cdk7-IN-1 chemical structure, C33H32ClN7O4, CAS 2987905-95-1
Hdac1/cdk7-IN-1
CAS 2987905-95-1C33H32ClN7O4