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Murcko scaffold

Ring system with 4 rings and 22 atoms

12 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
12
With full pages
1
Scaffold SMILES

c1ccc(Oc2ccc(-c3[nH]nc4ncncc34)cc2)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
Murcko scaffold c1ccc(Oc2ccc(-c3[nH]nc4ncncc34)cc2)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

3-(4-Phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine chemical structure, C17H13N5O, CAS 330786-24-8
3-(4-Phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CAS 330786-24-8C17H13N5O
N-[2-[4-Amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]prop-2-enamide chemical structure, C22H20N6O2, CAS 1023896-76-5
N-[2-[4-Amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]prop-2-enamide
CAS 1023896-76-5C22H20N6O2
Ibrutinib impurity 28 chemical structure, C18H15N5O, CAS 2213398-75-3
Ibrutinib impurity 28
CAS 2213398-75-3C18H15N5O
3-(2-Fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine chemical structure, C17H12FN5O, CAS 1575590-09-8
3-(2-Fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS 1575590-09-8C17H12FN5O
3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propan-1-ol chemical structure, C20H19N5O2, CAS 1414363-19-1
3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propan-1-ol
CAS 1414363-19-1C20H19N5O2
Ibrutinib metabolite M34 chemical structure, C25H26N6O3, CAS 1838132-94-7
Ibrutinib metabolite M34
CAS 1838132-94-7C25H26N6O3
Ibrutinib M25 chemical structure, C25H24N6O4, CAS 1839090-60-6
Ibrutinib M25
CAS 1839090-60-6C25H24N6O4
N-(2-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-5-hydroxypentyl)-2,3-dihydroxypropanamide, (R)- chemical structure, C25H28N6O5, CAS 1838132-93-6
N-(2-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-5-hydroxypentyl)-2,3-dihydroxypropanamide, (R)-
CAS 1838132-93-6C25H28N6O5
1-Ethyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine chemical structure, C19H17N5O, CAS 2213398-76-4
1-Ethyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS 2213398-76-4C19H17N5O
3-(4-(4-Chlorophenoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine chemical structure, C17H12ClN5O, CAS 1807619-68-6
3-(4-(4-Chlorophenoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS 1807619-68-6C17H12ClN5O
1-Isopropyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-D]pyrimidin-4-amine chemical structure, C20H19N5O, CAS 2803461-05-2
1-Isopropyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-D]pyrimidin-4-amine
CAS 2803461-05-2C20H19N5O
1-Butyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-D]pyrimidin-4-amine chemical structure, C21H21N5O, CAS 2213398-77-5
1-Butyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-D]pyrimidin-4-amine
CAS 2213398-77-5C21H21N5O