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Murcko scaffold

12-Pyrrolidin-3-yl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene scaffold

9 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
17
Chemicals
9
With full pages
4
Scaffold SMILES

c1cc2c(ncc3ncc(C4CCNC4)n32)[nH]1

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 scaffoldOpen the 12-Pyrrolidin-3-yl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene page
Murcko scaffold c1cc2c(ncc3ncc(C4CCNC4)n32)[nH]1

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 9 of 9 chemicals

Upadacitinib chemical structure, C17H19F3N6O, CAS 1310726-60-3
Upadacitinib
CAS 1310726-60-3C17H19F3N6O
12-Pyrrolidin-3-yl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene chemical structure, C12H13N5, CAS 1310723-80-8
12-Pyrrolidin-3-yl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CAS 1310723-80-8C12H13N5
ABT-494 enantiomer chemical structure, C17H19F3N6O, CAS 1310726-59-0
ABT-494 enantiomer
CAS 1310726-59-0C17H19F3N6O
Upadacitinib tartrate anhydrous chemical structure, C21H25F3N6O7, CAS 2095311-41-2
Upadacitinib tartrate anhydrous
CAS 2095311-41-2C21H25F3N6O7
8-((3R,4S)-4-Ethylpyrrolidin-3-yl)-3H-imidazo(1,2-a)pyrrolo(2,3-e)pyrazine chemical structure, C14H17N5, CAS 1708997-43-6
8-((3R,4S)-4-Ethylpyrrolidin-3-yl)-3H-imidazo(1,2-a)pyrrolo(2,3-e)pyrazine
CAS 1708997-43-6C14H17N5
Upadacitinib tartrate chemical structure, C21H33F3N6O11, CAS 1607431-21-9
Upadacitinib tartrate
CAS 1607431-21-9C21H33F3N6O11
Upadacitinib hemihydrate chemical structure, C34H40F6N12O3, CAS 2050057-56-0
Upadacitinib hemihydrate
CAS 2050057-56-0C34H40F6N12O3
8-((3R,4S)-4-Ethylpyrrolidin-3-yl)-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine dihydrocloride chemical structure, C14H19Cl2N5, CAS 2050038-84-9
8-((3R,4S)-4-Ethylpyrrolidin-3-yl)-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine dihydrocloride
CAS 2050038-84-9C14H19Cl2N5
Upadacitinib impurity 23 chemical structure, C20H21F6N7O2, CAS 2715120-86-6
Upadacitinib impurity 23
CAS 2715120-86-6C20H21F6N7O2