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Murcko scaffold

Ring system with 4 rings and 21 atoms

6 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
6
With full pages
1
Scaffold SMILES

O=c1[nH]cnc2cc3c(cc12)C(Nc1ccccc1)CC3

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]cnc2cc3c(cc12)C(Nc1ccccc1)CC3

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 6 of 6 chemicals

4-[[2-(Hydroxymethyl)-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoic acid chemical structure, C22H19N3O4, CAS 501132-04-3
4-[[2-(Hydroxymethyl)-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoic acid
CAS 501132-04-3C22H19N3O4
Bgc 945 chemical structure, C32H33N5O10, CAS 501332-69-0
Bgc 945
CAS 501332-69-0C32H33N5O10
Bgc-638 chemical structure, C32H33N5O9, CAS 416852-27-2
Bgc-638
CAS 416852-27-2C32H33N5O9
4-[[(6S)-2-(Hydroxymethyl)-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoic acid chemical structure, C22H19N3O4, CAS 1356166-26-1
4-[[(6S)-2-(Hydroxymethyl)-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoic acid
CAS 1356166-26-1C22H19N3O4
Idetrexed trisodium chemical structure, C32H30N5Na3O10, CAS 1097638-00-0
Idetrexed trisodium
CAS 1097638-00-0C32H30N5Na3O10
tert-Butyl 4-((2-(tert-butoxymethyl)-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)(prop-2-yn-1-yl)amino)benzoate chemical structure, C30H35N3O4, CAS 1356166-38-5
tert-Butyl 4-((2-(tert-butoxymethyl)-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)(prop-2-yn-1-yl)amino)benzoate
CAS 1356166-38-5C30H35N3O4