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Murcko scaffold

Ring system with 3 rings and 18 atoms

21 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
21
With full pages
2
Scaffold SMILES

c1ccc(NCCc2c[nH]c3ccccc23)cc1

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 c1ccc(NCCc2c[nH]c3ccccc23)cc1

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 21 of 21 chemicals

N-(2,4-Dinitrophenyl)-L-tryptophan chemical structure, C17H14N4O6, CAS 1655-51-2
N-(2,4-Dinitrophenyl)-L-tryptophan
CAS 1655-51-2C17H14N4O6
ML 23 chemical structure, C17H16N4O5, CAS 108929-03-9
ML 23
CAS 108929-03-9C17H16N4O5
2-[(2,4-Dinitrophenyl)amino]-3-(1H-indol-3-yl)propanoic acid chemical structure, C17H14N4O6, CAS 63400-91-9
2-[(2,4-Dinitrophenyl)amino]-3-(1H-indol-3-yl)propanoic acid
CAS 63400-91-9C17H14N4O6
2-Fluoro-6-{[2-(1H-indol-3-yl)ethyl]amino}benzenecarbonitrile chemical structure, C17H14FN3, CAS 691858-22-7
2-Fluoro-6-{[2-(1H-indol-3-yl)ethyl]amino}benzenecarbonitrile
CAS 691858-22-7C17H14FN3
2-Bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline chemical structure, C16H14BrN3O2, CAS 477846-87-0
2-Bromo-N-[2-(1H-indol-3-yl)ethyl]-4-nitroaniline
CAS 477846-87-0C16H14BrN3O2
N-(4-Azido-2-nitrophenyl)-5-hydroxytryptamine chemical structure, C16H14N6O3, CAS 94452-30-9
N-(4-Azido-2-nitrophenyl)-5-hydroxytryptamine
CAS 94452-30-9C16H14N6O3
2-{[2-(1H-Indol-3-yl)ethyl]amino}-5-nitrobenzonitrile chemical structure, C17H14N4O2, CAS 852413-37-7
2-{[2-(1H-Indol-3-yl)ethyl]amino}-5-nitrobenzonitrile
CAS 852413-37-7C17H14N4O2
4-[[2-(1H-Indol-3-yl)ethyl]amino]-3-nitrobenzamide chemical structure, C17H16N4O3, CAS 852413-38-8
4-[[2-(1H-Indol-3-yl)ethyl]amino]-3-nitrobenzamide
CAS 852413-38-8C17H16N4O3
4-{[2-(1H-Indol-3-yl)ethyl]amino}-3-nitrobenzoic acid chemical structure, C17H15N3O4, CAS 940984-38-3
4-{[2-(1H-Indol-3-yl)ethyl]amino}-3-nitrobenzoic acid
CAS 940984-38-3C17H15N3O4
2-{[2-(5-Methoxy-1H-indol-3-yl)ethyl]amino}-5-nitrobenzonitrile chemical structure, C18H16N4O3, CAS 945367-20-4
2-{[2-(5-Methoxy-1H-indol-3-yl)ethyl]amino}-5-nitrobenzonitrile
CAS 945367-20-4C18H16N4O3
2-{[2-(5-Fluoro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzonitrile chemical structure, C17H13FN4O2, CAS 945299-27-4
2-{[2-(5-Fluoro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzonitrile
CAS 945299-27-4C17H13FN4O2
N-[2-(1H-Indol-3-yl)ethyl]-2-nitroaniline chemical structure, C16H15N3O2, CAS 903361-73-9
N-[2-(1H-Indol-3-yl)ethyl]-2-nitroaniline
CAS 903361-73-9C16H15N3O2
N-[2-(1H-Indol-3-yl)ethyl]-4-nitroaniline chemical structure, C16H15N3O2, CAS 881204-43-9
N-[2-(1H-Indol-3-yl)ethyl]-4-nitroaniline
CAS 881204-43-9C16H15N3O2
(R)-N-(4-Nitrophenyl)-tryptophan chemical structure, C17H15N3O4, CAS 1187929-73-2
(R)-N-(4-Nitrophenyl)-tryptophan
CAS 1187929-73-2C17H15N3O4
N-(2-(1H-Indol-3-yl)ethyl)-4-methoxyaniline chemical structure, C17H18N2O, CAS 1888392-98-0
N-(2-(1H-Indol-3-yl)ethyl)-4-methoxyaniline
CAS 1888392-98-0C17H18N2O
N-(5-{[2-(1H-Indol-3-yl)ethyl]amino}-2,4-dinitrophenyl)acetamide chemical structure, C18H17N5O5, CAS 409361-15-5
N-(5-{[2-(1H-Indol-3-yl)ethyl]amino}-2,4-dinitrophenyl)acetamide
CAS 409361-15-5C18H17N5O5
N-(2,4,6-Trinitrophenyl)-L-tryptophan chemical structure, C17H13N5O8, CAS 1106-80-5
N-(2,4,6-Trinitrophenyl)-L-tryptophan
CAS 1106-80-5C17H13N5O8
(S)-N-(4-Nitro-phenyl)-L-tryptophan chemical structure, C17H15N3O4
(S)-N-(4-Nitro-phenyl)-L-tryptophan
C17H15N3O4
(2R)-3-(1H-Indol-3-yl)-2-(4-nitroanilino)propanoic acid chemical structure, C17H15N3O4, CAS 1187930-30-8
(2R)-3-(1H-Indol-3-yl)-2-(4-nitroanilino)propanoic acid
CAS 1187930-30-8C17H15N3O4
N1-[2-(1H-indol-3-yl)ethyl]benzene-1,2-diamine chemical structure, C16H17N3, CAS 1368778-44-2
N1-[2-(1H-indol-3-yl)ethyl]benzene-1,2-diamine
CAS 1368778-44-2C16H17N3
2-((2-(6-Cyano-1H-indol-3-yl)ethyl)amino)-5-(pentafluoro-l6-sulfaneyl)benzoic acid chemical structure, C18H14F5N3O2S, CAS 2891574-93-7
2-((2-(6-Cyano-1H-indol-3-yl)ethyl)amino)-5-(pentafluoro-l6-sulfaneyl)benzoic acid
CAS 2891574-93-7C18H14F5N3O2S