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Murcko scaffold

Ring system with 6 rings and 31 atoms

10 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
31
Chemicals
10
With full pages
3
Scaffold SMILES

O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCOCCn1cc2c2ccccc21

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=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCOCCn1cc2c2ccccc21

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 10 of 10 chemicals

Ruboxistaurin chemical structure, C28H28N4O3, CAS 169939-94-0
Ruboxistaurin
CAS 169939-94-0C28H28N4O3
Ruboxistaurin mesylate monohydrate chemical structure, C29H34N4O7S, CAS 202260-21-7
Ruboxistaurin mesylate monohydrate
CAS 202260-21-7C29H34N4O7S
Ruboxistaurin hydrochloride chemical structure, C28H29ClN4O3, CAS 169939-93-9
Ruboxistaurin hydrochloride
CAS 169939-93-9C28H29ClN4O3
(18S)-18-(Hydroxymethyl)-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione chemical structure, C26H23N3O4, CAS 169940-55-0
(18S)-18-(Hydroxymethyl)-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione
CAS 169940-55-0C26H23N3O4
N,N-Didesmethyl ruboxistaurin chemical structure, C26H24N4O3, CAS 695812-68-1
N,N-Didesmethyl ruboxistaurin
CAS 695812-68-1C26H24N4O3
[(18S)-3,5-Dioxo-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaen-18-yl]methyl methanesulfonate chemical structure, C27H25N3O6S, CAS 169940-46-9
[(18S)-3,5-Dioxo-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaen-18-yl]methyl methanesulfonate
CAS 169940-46-9C27H25N3O6S
N-Desmethyl ruboxistaurin chemical structure, C27H26N4O3, CAS 191848-32-5
N-Desmethyl ruboxistaurin
CAS 191848-32-5C27H26N4O3
Ruboxistaurin mesylate chemical structure, C29H32N4O6S, CAS 192050-59-2
Ruboxistaurin mesylate
CAS 192050-59-2C29H32N4O6S
Ruboxistaurin-d6 hydrochloride chemical structure, C28H29ClN4O3, CAS 1794767-04-6
Ruboxistaurin-d6 hydrochloride
CAS 1794767-04-6C28H29ClN4O3
Ruboxistaurin metabolite 3 chemical structure, C28H28N4O4, CAS 875328-55-5
Ruboxistaurin metabolite 3
CAS 875328-55-5C28H28N4O4