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Murcko scaffold

Ring system with 3 rings and 21 atoms

26 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
26
With full pages
7
Scaffold SMILES

O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1

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(CCc1c[nH]c2ccccc12)NCc1ccccc1

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 26 of 26 chemicals

3-(1H-Indol-3-yl)-N-(1-phenylethyl)propanamide chemical structure, C19H20N2O, CAS 381193-54-0
3-(1H-Indol-3-yl)-N-(1-phenylethyl)propanamide
CAS 381193-54-0C19H20N2O
(S)-2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide chemical structure, C18H19N3O, CAS 125009-81-6
(S)-2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide
CAS 125009-81-6C18H19N3O
1H-Indole-3-propanamide, alpha-(acetylamino)-N-(phenylmethyl)-, (S)- chemical structure, C20H21N3O2, CAS 108273-72-9
1H-Indole-3-propanamide, alpha-(acetylamino)-N-(phenylmethyl)-, (S)-
CAS 108273-72-9C20H21N3O2
N-[(2-Chloro-6-fluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide chemical structure, C19H18ClFN2O, CAS 851206-21-8
N-[(2-Chloro-6-fluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CAS 851206-21-8C19H18ClFN2O
N-[(3-Chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide chemical structure, C18H17ClN2O, CAS 781636-06-4
N-[(3-Chlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CAS 781636-06-4C18H17ClN2O
3-(1H-Indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide chemical structure, C19H20N2O2, CAS 790725-32-5
3-(1H-Indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CAS 790725-32-5C19H20N2O2
2-Acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide chemical structure, C20H20FN3O2, CAS 1008003-38-0
2-Acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CAS 1008003-38-0C20H20FN3O2
2-Acetamido-N-[(4-tert-butylphenyl)methyl]-3-(1H-indol-3-yl)propanamide chemical structure, C24H29N3O2, CAS 1008710-36-8
2-Acetamido-N-[(4-tert-butylphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CAS 1008710-36-8C24H29N3O2
2-Amino-N-benzyl-3-(1H-indol-3-yl)-propionamide chemical structure, C18H19N3O, CAS 187085-81-0
2-Amino-N-benzyl-3-(1H-indol-3-yl)-propionamide
CAS 187085-81-0C18H19N3O
GM 1489 chemical structure, C27H33N3O4, CAS 170905-75-6
GM 1489
CAS 170905-75-6C27H33N3O4
Methyl (3R)-3-[[(2R)-2-[[(2S)-2-aminopropanoyl]-methylamino]-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]-3-[4-tri(propan-2-yl)silyloxyphenyl]propanoate chemical structure, C34H49BrN4O5Si, CAS 943858-26-2
Methyl (3R)-3-[[(2R)-2-[[(2S)-2-aminopropanoyl]-methylamino]-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]-3-[4-tri(propan-2-yl)silyloxyphenyl]propanoate
CAS 943858-26-2C34H49BrN4O5Si
N-Benzyl-N-(cyanomethyl)-3-(1H-indol-3-yl)propanamide chemical structure, C20H19N3O, CAS 1241111-81-8
N-Benzyl-N-(cyanomethyl)-3-(1H-indol-3-yl)propanamide
CAS 1241111-81-8C20H19N3O
(2S)-2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide hydrochloride chemical structure, C18H20ClN3O, CAS 159098-64-3
(2S)-2-Amino-N-benzyl-3-(1H-indol-3-yl)propanamide hydrochloride
CAS 159098-64-3C18H20ClN3O
N-[Cyano(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide chemical structure, C19H15F2N3O, CAS 1281118-28-2
N-[Cyano(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CAS 1281118-28-2C19H15F2N3O
(+)-Jasplakinolide Z2 chemical structure, C37H49BrN4O7, CAS 102396-26-9
(+)-Jasplakinolide Z2
CAS 102396-26-9C37H49BrN4O7
Methyl (3R)-3-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[(2S)-2-[[(E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoyl]amino]propanoyl]-methylamino]propanoyl]amino]-3-[4-tri(propan-2-yl)silyloxyphenyl]propanoate chemical structure, C52H83BrN4O7Si2, CAS 943858-37-5
Methyl (3R)-3-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[(2S)-2-[[(E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoyl]amino]propanoyl]-methylamino]propanoyl]amino]-3-[4-tri(propan-2-yl)silyloxyphenyl]propanoate
CAS 943858-37-5C52H83BrN4O7Si2
N-Benzyl-Nalpha-(methoxycarbonyl)-L-tryptophanamide chemical structure, C20H21N3O3, CAS 1217831-60-1
N-Benzyl-Nalpha-(methoxycarbonyl)-L-tryptophanamide
CAS 1217831-60-1C20H21N3O3
N-Benzyl-Nalpha-(diethylcarbamoyl)-L-tryptophanamide chemical structure, C23H28N4O2, CAS 1217731-49-1
N-Benzyl-Nalpha-(diethylcarbamoyl)-L-tryptophanamide
CAS 1217731-49-1C23H28N4O2
(3R)-N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl-2-bromo-N-methyl-D-tryptophyl-3-[4-[[tris(1-methylethyl)silyl]oxy]phenyl]-beta-alanine Methyl Ester chemical structure, C39H57BrN4O7Si, CAS 943858-41-1
(3R)-N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl-2-bromo-N-methyl-D-tryptophyl-3-[4-[[tris(1-methylethyl)silyl]oxy]phenyl]-beta-alanine Methyl Ester
CAS 943858-41-1C39H57BrN4O7Si
2-Acetamido-N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-3-(6-fluoro-1H-indol-3-yl)propanamide chemical structure, C22H18F4N4O2, CAS 2305276-15-5
2-Acetamido-N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-3-(6-fluoro-1H-indol-3-yl)propanamide
CAS 2305276-15-5C22H18F4N4O2
Methyl 3-[[3-(2-bromo-1H-indol-3-yl)-2-[2-[[8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoyl]amino]propanoyl-methylamino]propanoyl]amino]-3-[4-tri(propan-2-yl)silyloxyphenyl]propanoate chemical structure, C52H83BrN4O7Si2
Methyl 3-[[3-(2-bromo-1H-indol-3-yl)-2-[2-[[8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoyl]amino]propanoyl-methylamino]propanoyl]amino]-3-[4-tri(propan-2-yl)silyloxyphenyl]propanoate
C52H83BrN4O7Si2
2-Acetamido-N-[cyano-(4-ethylphenyl)methyl]-3-(6-fluoro-1H-indol-3-yl)propanamide chemical structure, C23H23FN4O2, CAS 2418648-23-2
2-Acetamido-N-[cyano-(4-ethylphenyl)methyl]-3-(6-fluoro-1H-indol-3-yl)propanamide
CAS 2418648-23-2C23H23FN4O2
Mpro/PLpro-IN-1 chemical structure, C25H27ClN4O3, CAS 2766185-78-6
Mpro/PLpro-IN-1
CAS 2766185-78-6C25H27ClN4O3
(3R)-N-[(2S,4E,6R,8S)-8-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2,4,6-trimethyl-1-oxo-4-nonen-1-yl]-L-alanyl-2-bromo-N-methyl-D-tryptophyl-3-[4-[[tris(1-methylethyl)silyl]oxy]phenyl]-beta-alanineMethylEster chemical structure, C52H83BrN4O7Si2
(3R)-N-[(2S,4E,6R,8S)-8-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2,4,6-trimethyl-1-oxo-4-nonen-1-yl]-L-alanyl-2-bromo-N-methyl-D-tryptophyl-3-[4-[[tris(1-methylethyl)silyl]oxy]phenyl]-beta-alanineMethylEster
C52H83BrN4O7Si2