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Murcko scaffold

Ring system with 4 rings and 24 atoms

9 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
9
With full pages
1
Scaffold SMILES

O=C(Cc1ccccc1)N1CCN(c2ncnc3c2CCC3)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 O=C(Cc1ccccc1)N1CCN(c2ncnc3c2CCC3)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 9 of 9 chemicals

Ipatasertib chemical structure, C24H32ClN5O2, CAS 1001264-89-6
Ipatasertib
CAS 1001264-89-6C24H32ClN5O2
Ipatasertib isomer chemical structure, C24H32ClN5O2, CAS 1001265-28-6
Ipatasertib isomer
CAS 1001265-28-6C24H32ClN5O2
Ipatasertib-NH2 chemical structure, C21H26ClN5O2, CAS 1001382-14-4
Ipatasertib-NH2
CAS 1001382-14-4C21H26ClN5O2
Ipatasertib dihydrochloride chemical structure, C24H34Cl3N5O2, CAS 1396257-94-5
Ipatasertib dihydrochloride
CAS 1396257-94-5C24H34Cl3N5O2
Ipatasertib-NH2 (dihydrochloride) chemical structure, C21H28Cl3N5O2, CAS 1001264-73-8
Ipatasertib-NH2 (dihydrochloride)
CAS 1001264-73-8C21H28Cl3N5O2
(2S)-2-(4-Chlorophenyl)-1-[4-[(5R)-5-(fluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one chemical structure, C24H31ClFN5O, CAS 1396258-35-7
(2S)-2-(4-Chlorophenyl)-1-[4-[(5R)-5-(fluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CAS 1396258-35-7C24H31ClFN5O
Ipatasertib hydrochloride chemical structure, C24H33Cl2N5O2, CAS 1489263-16-2
Ipatasertib hydrochloride
CAS 1489263-16-2C24H33Cl2N5O2
Ipatasertib tosylate chemical structure, C31H40ClN5O5S, CAS 1491138-24-9
Ipatasertib tosylate
CAS 1491138-24-9C31H40ClN5O5S
3-[[(2S)-2-(4-Chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]amino]propanoic acid chemical structure, C24H30ClN5O4, CAS 2376136-15-9
3-[[(2S)-2-(4-Chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]amino]propanoic acid
CAS 2376136-15-9C24H30ClN5O4