CompoundList
Sign in
Murcko scaffold

Ring system with 5 rings and 29 atoms

8 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
29
Chemicals
8
With full pages
2
Scaffold SMILES

O=c1[nH]n(-c2ccccn2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12

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=c1[nH]n(-c2ccccn2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12

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 8 of 8 chemicals

MK 1775 chemical structure, C27H32N8O2, CAS 955365-80-7
MK 1775
CAS 955365-80-7C27H32N8O2
Adavosertib hemihydrate chemical structure, C54H66N16O5, CAS 1277170-60-1
Adavosertib hemihydrate
CAS 1277170-60-1C54H66N16O5
1,2-Dihydro-1-(6-(1-hydroxy-1-methylethyl)-2-pyridinyl)-6-((4-(1-piperazinyl)phenyl)amino)-2-(2-propen-1-yl)-3H-pyrazolo(3,4-d)pyrimidin-3-one chemical structure, C26H30N8O2, CAS 955366-07-1
1,2-Dihydro-1-(6-(1-hydroxy-1-methylethyl)-2-pyridinyl)-6-((4-(1-piperazinyl)phenyl)amino)-2-(2-propen-1-yl)-3H-pyrazolo(3,4-d)pyrimidin-3-one
CAS 955366-07-1C26H30N8O2
Methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate chemical structure, C28H32N8O4, CAS 1847445-87-7
Methyl 4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazine-1-carboxylate
CAS 1847445-87-7C28H32N8O4
tert-Butyl N-[3-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]propyl]carbamate chemical structure, C34H45N9O4, CAS 2113725-19-0
tert-Butyl N-[3-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]propyl]carbamate
CAS 2113725-19-0C34H45N9O4
N-Hydroxy-7-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]heptanamide chemical structure, C33H43N9O4, CAS 3037071-29-4
N-Hydroxy-7-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]heptanamide
CAS 3037071-29-4C33H43N9O4
Orb3177803 chemical structure, C31H38F3N9O4, CAS 2858813-30-4
Orb3177803
CAS 2858813-30-4C31H38F3N9O4
2-[4-[4-[[1-[6-(2-Hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetic acid chemical structure, C28H32N8O4, CAS 2714511-66-5
2-[4-[4-[[1-[6-(2-Hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetic acid
CAS 2714511-66-5C28H32N8O4