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Murcko scaffold

Ring system with 5 rings and 36 atoms

12 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
36
Chemicals
12
With full pages
2
Scaffold SMILES

O=C(NC1CCc2ccccc21)C(CCCN1CCN(Cc2cccnc2)CC1)Cc1ccccc1

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(NC1CCc2ccccc21)C(CCCN1CCN(Cc2cccnc2)CC1)Cc1ccccc1

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 12 of 12 chemicals

Indinavir chemical structure, C36H47N5O4, CAS 150378-17-9
Indinavir
CAS 150378-17-9C36H47N5O4
Indinavir sulfate chemical structure, C36H49N5O8S, CAS 157810-81-6
Indinavir sulfate
CAS 157810-81-6C36H49N5O8S
Indinavir metabolite M3 chemical structure, C36H47N5O5, CAS 162518-56-1
Indinavir metabolite M3
CAS 162518-56-1C36H47N5O5
Indinavir sulfate ethanolate chemical structure, C38H55N5O9S, CAS 2563866-80-6
Indinavir sulfate ethanolate
CAS 2563866-80-6C38H55N5O9S
Indinavir, threo- chemical structure, C36H47N5O4, CAS 360558-79-8
Indinavir, threo-
CAS 360558-79-8C36H47N5O4
L-Valine, (1S,2R)-2,3-dihydro-1-[[2,3,5-trideoxy-5-[(2S)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-(3-pyridinylmethyl)-1-piperazinyl]-2-(phenylmethyl)-D-erythro-pentonoyl]amino]-1H-inden-2-yl ester chemical structure, C41H56N6O5, CAS 285991-85-7
L-Valine, (1S,2R)-2,3-dihydro-1-[[2,3,5-trideoxy-5-[(2S)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-(3-pyridinylmethyl)-1-piperazinyl]-2-(phenylmethyl)-D-erythro-pentonoyl]amino]-1H-inden-2-yl ester
CAS 285991-85-7C41H56N6O5
Indinavir-d6 chemical structure, C36H47N5O4, CAS 185897-02-3
Indinavir-d6
CAS 185897-02-3C36H47N5O4
Indinavir metabolite M2 chemical structure, C36H47N5O6, CAS 162518-55-0
Indinavir metabolite M2
CAS 162518-55-0C36H47N5O6
Indinavir metabolite M4a chemical structure, C36H47N5O5, CAS 162518-57-2
Indinavir metabolite M4a
CAS 162518-57-2C36H47N5O5
Indinavir metabolite M4b chemical structure, C36H47N5O5, CAS 162518-59-4
Indinavir metabolite M4b
CAS 162518-59-4C36H47N5O5
Indinavir sulfate hydrate chemical structure, C36H51N5O9S, CAS 2129529-26-4
Indinavir sulfate hydrate
CAS 2129529-26-4C36H51N5O9S
(2R)-1-[(2R,4S)-4-Benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide, sulfuric acid chemical structure, C36H49N5O8S, CAS 2743427-44-1
(2R)-1-[(2R,4S)-4-Benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide, sulfuric acid
CAS 2743427-44-1C36H49N5O8S