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Murcko scaffold

Ring system with 3 rings and 20 atoms

11 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
11
With full pages
4
Scaffold SMILES

O=C(Nc1ccncc1)c1cccc(OCC2CC2)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 O=C(Nc1ccncc1)c1cccc(OCC2CC2)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 11 of 11 chemicals

Roflumilast chemical structure, C17H14Cl2F2N2O3, CAS 162401-32-3
Roflumilast
CAS 162401-32-3C17H14Cl2F2N2O3
Roflumilast N-oxide chemical structure, C17H14Cl2F2N2O4, CAS 292135-78-5
Roflumilast N-oxide
CAS 292135-78-5C17H14Cl2F2N2O4
3-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide chemical structure, C17H16Cl2N2O3, CAS 159782-26-0
3-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide
CAS 159782-26-0C17H16Cl2N2O3
Roflumilast-d3 chemical structure, C17H14Cl2F2N2O3, CAS 1189992-00-4
Roflumilast-d3
CAS 1189992-00-4C17H14Cl2F2N2O3
3-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-hydroxybenzamide chemical structure, C16H14Cl2N2O3, CAS 475271-62-6
3-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-hydroxybenzamide
CAS 475271-62-6C16H14Cl2N2O3
N-(3-Chloropyridin-4-yl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide chemical structure, C17H15ClF2N2O3, CAS 1391053-75-0
N-(3-Chloropyridin-4-yl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CAS 1391053-75-0C17H15ClF2N2O3
Roflumilast-d4 chemical structure, C17H14Cl2F2N2O3, CAS 1398065-69-4
Roflumilast-d4
CAS 1398065-69-4C17H14Cl2F2N2O3
Roflumilast-d4 N-oxide chemical structure, C17H14Cl2F2N2O4, CAS 1794760-31-8
Roflumilast-d4 N-oxide
CAS 1794760-31-8C17H14Cl2F2N2O4
3-(Cyclopropylmethoxy)-4-(difluoromethoxy)-N-(pyridin-4-yl)benzamide chemical structure, C17H16F2N2O3, CAS 2206113-97-3
3-(Cyclopropylmethoxy)-4-(difluoromethoxy)-N-(pyridin-4-yl)benzamide
CAS 2206113-97-3C17H16F2N2O3
N-(3-Bromo-5-chloropyridin-4-yl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide chemical structure, C17H14BrClF2N2O3, CAS 3031785-18-6
N-(3-Bromo-5-chloropyridin-4-yl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CAS 3031785-18-6C17H14BrClF2N2O3
3-(Cyclopropylmethoxy)-N-(2,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide chemical structure, C17H14Cl2F2N2O3, CAS 2204417-23-0
3-(Cyclopropylmethoxy)-N-(2,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
CAS 2204417-23-0C17H14Cl2F2N2O3