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Murcko scaffold

Ring system with 4 rings and 25 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
4
With full pages
1
Scaffold SMILES

O=c1c(C=NCCN2CCOCC2)c[nH]n1-c1nc2ccccc2s1

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=c1c(C=NCCN2CCOCC2)c[nH]n1-c1nc2ccccc2s1

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 4 of 4 chemicals

(4E)-2-(1,3-Benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one chemical structure, C18H18F3N5O2S, CAS 336177-04-9
(4E)-2-(1,3-Benzothiazol-2-yl)-4-[(2-morpholin-4-ylethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one
CAS 336177-04-9C18H18F3N5O2S
2-(1,3-Benzothiazol-2-yl)-4-{(1E)-N-[2-(morpholin-4-yl)ethyl]ethanimidoyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one chemical structure, C21H27N5O2S, CAS 884415-32-1
2-(1,3-Benzothiazol-2-yl)-4-{(1E)-N-[2-(morpholin-4-yl)ethyl]ethanimidoyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one
CAS 884415-32-1C21H27N5O2S
(4Z)-2-(1,3-Benzothiazol-2-yl)-5-methyl-4-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one chemical structure, C19H23N5O2S, CAS 879073-86-6
(4Z)-2-(1,3-Benzothiazol-2-yl)-5-methyl-4-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
CAS 879073-86-6C19H23N5O2S
Methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate chemical structure, C21H25N5O4S, CAS 727370-32-3
Methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
CAS 727370-32-3C21H25N5O4S