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Murcko scaffold

Ring system with 3 rings and 15 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
15
Chemicals
8
With full pages
2
Scaffold SMILES

c1ccn(Cc2ccc3c(c2)OCO3)c1

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 c1ccn(Cc2ccc3c(c2)OCO3)c1

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

1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde chemical structure, C13H10N2O5, CAS 53413-69-7
1-[(6-Nitro-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carbaldehyde
CAS 53413-69-7C13H10N2O5
1-[4-Acetyl-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone chemical structure, C18H19NO4, CAS 864936-38-9
1-[4-Acetyl-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CAS 864936-38-9C18H19NO4
1-(1-((1,3-Dioxaindan-5-yl)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-chloroethan-1-one chemical structure, C16H16ClNO3, CAS 731826-79-2
1-(1-((1,3-Dioxaindan-5-yl)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-chloroethan-1-one
CAS 731826-79-2C16H16ClNO3
3-(1,3-Benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid chemical structure, C16H17NO4, CAS 866019-38-7
3-(1,3-Benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
CAS 866019-38-7C16H17NO4
3-(1,3-Benzodioxol-5-yl)-3-[2,5-dimethyl-3-(2,2,2-trifluoroacetyl)-1H-pyrrol-1-yl]propanoic acid chemical structure, C18H16F3NO5, CAS 866040-41-7
3-(1,3-Benzodioxol-5-yl)-3-[2,5-dimethyl-3-(2,2,2-trifluoroacetyl)-1H-pyrrol-1-yl]propanoic acid
CAS 866040-41-7C18H16F3NO5
(E)-2-Cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide chemical structure, C16H12N4O5, CAS 53413-70-0
(E)-2-Cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide
CAS 53413-70-0C16H12N4O5
Ethyl (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enoate chemical structure, C18H15N3O6, CAS 53413-56-2
Ethyl (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enoate
CAS 53413-56-2C18H15N3O6
[(E)-[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea chemical structure, C14H13N5O4S, CAS 53413-60-8
[(E)-[1-[(6-Nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea
CAS 53413-60-8C14H13N5O4S