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Murcko scaffold

Ring system with 3 rings and 24 atoms

38 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
24
Chemicals
38
With full pages
2
Scaffold SMILES

c1ccc(CCCCNCc2ccc(-c3ccccn3)cc2)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(CCCCNCc2ccc(-c3ccccn3)cc2)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 38 of 38 chemicals

Atazanavir chemical structure, C38H52N6O7, CAS 198904-31-3
Atazanavir
CAS 198904-31-3C38H52N6O7
Atazanavir sulfate chemical structure, C38H54N6O11S, CAS 229975-97-7
Atazanavir sulfate
CAS 229975-97-7C38H54N6O11S
1-(4-(Pyridin-2-yl)-phenyl)-4(S)-hydroxy-5(S)-2,5-bis(N-(N-methoxycarbonyl-(L)-valyl)amino)-6-phenyl-2-azahexane chemical structure, C36H48N6O7, CAS 198904-22-2
1-(4-(Pyridin-2-yl)-phenyl)-4(S)-hydroxy-5(S)-2,5-bis(N-(N-methoxycarbonyl-(L)-valyl)amino)-6-phenyl-2-azahexane
CAS 198904-22-2C36H48N6O7
Atazanavir valine analog chemical structure, C37H50N6O7, CAS 198904-33-5
Atazanavir valine analog
CAS 198904-33-5C37H50N6O7
(3R,8S,9S,12S)-Atazanavir chemical structure, C38H52N6O7, CAS 1332981-14-2
(3R,8S,9S,12S)-Atazanavir
CAS 1332981-14-2C38H52N6O7
Des-N-(methoxycarbonyl)-L-tert-leucine Atazanavir Trihydrochloride chemical structure, C22H26N4O, CAS 198904-87-9
Des-N-(methoxycarbonyl)-L-tert-leucine Atazanavir Trihydrochloride
CAS 198904-87-9C22H26N4O
64Vvl97zaa chemical structure, C30H39N5O4, CAS 765254-57-7
64Vvl97zaa
CAS 765254-57-7C30H39N5O4
tert-Butyl N-[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]carbamate chemical structure, C35H47N5O6, CAS 857904-03-1
tert-Butyl N-[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]carbamate
CAS 857904-03-1C35H47N5O6
1,1-Dimethylethyl 2-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-((4-(2-pyridinyl)phenyl)methyl)hydrazinecarboxylate chemical structure, C32H42N4O5, CAS 198904-86-8
1,1-Dimethylethyl 2-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-((4-(2-pyridinyl)phenyl)methyl)hydrazinecarboxylate
CAS 198904-86-8C32H42N4O5
Atazanavir-d5 chemical structure, C38H52N6O7, CAS 1132747-14-8
Atazanavir-d5
CAS 1132747-14-8C38H52N6O7
8-Epi atazanavir chemical structure, C38H52N6O7, CAS 1292296-09-3
8-Epi atazanavir
CAS 1292296-09-3C38H52N6O7
Des-N-(methoxycarbonyl)-L-tert-leucine Atazanavir Trihydrochloride chemical structure, C22H27ClN4O
Des-N-(methoxycarbonyl)-L-tert-leucine Atazanavir Trihydrochloride
C22H27ClN4O
Benzenepropanol, beta-amino-alpha-[[1-[[4-(2-pyridinyl)phenyl]methyl]hydrazinyl]methyl]-, hydrochloride (1:3), (alphaS,betaS)- chemical structure, C22H29Cl3N4O
Benzenepropanol, beta-amino-alpha-[[1-[[4-(2-pyridinyl)phenyl]methyl]hydrazinyl]methyl]-, hydrochloride (1:3), (alphaS,betaS)-
C22H29Cl3N4O
Deuterated atazanivir-D3-1 chemical structure, C38H52N6O7, CAS 1092540-56-1
Deuterated atazanivir-D3-1
CAS 1092540-56-1C38H52N6O7
Trideuteriomethyl N-[(2S)-4,4,4-trideuterio-1-[[(2S,3S)-3-hydroxy-1-phenyl-4-[(4-pyridin-2-ylphenyl)methyl-[[(2S)-4,4,4-trideuterio-2-(trideuteriomethoxycarbonylamino)-3,3-bis(trideuteriomethyl)butanoyl]amino]amino]butan-2-yl]amino]-1-oxo-3,3-bis(trideuteriomethyl)butan-2-yl]carbamate chemical structure, C38H52N6O7, CAS 1092540-58-3
Trideuteriomethyl N-[(2S)-4,4,4-trideuterio-1-[[(2S,3S)-3-hydroxy-1-phenyl-4-[(4-pyridin-2-ylphenyl)methyl-[[(2S)-4,4,4-trideuterio-2-(trideuteriomethoxycarbonylamino)-3,3-bis(trideuteriomethyl)butanoyl]amino]amino]butan-2-yl]amino]-1-oxo-3,3-bis(trideuteriomethyl)butan-2-yl]carbamate
CAS 1092540-58-3C38H52N6O7
Atazanavir-d18 chemical structure, C38H52N6O7, CAS 1092540-52-7
Atazanavir-d18
CAS 1092540-52-7C38H52N6O7
Atazanavir-d chemical structure, C38H52N6O7, CAS 1092540-51-6
Atazanavir-d
CAS 1092540-51-6C38H52N6O7
Atazanavir-d5 chemical structure, C38H52N6O7
Atazanavir-d5
C38H52N6O7
Atazanavir-d4 chemical structure, C38H52N6O7, CAS 1132747-16-0
Atazanavir-d4
CAS 1132747-16-0C38H52N6O7
Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir-d5 chemical structure, C32H42N4O5, CAS 1217665-60-5
Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir-d5
CAS 1217665-60-5C32H42N4O5
Atazanavir-d6 chemical structure, C38H52N6O7, CAS 1092540-50-5
Atazanavir-d6
CAS 1092540-50-5C38H52N6O7
Atazanavir S,S,R,S-diastereomer chemical structure, C38H52N6O7, CAS 1292296-10-6
Atazanavir S,S,R,S-diastereomer
CAS 1292296-10-6C38H52N6O7
N-[(1S,2S)-2-Hydroxy-1-(phenylmethyl)-3-[1-[[4-(2-pyridinyl)phenyl]methyl]hydrazinyl]propyl]carbamic Acid 1,1-Dimethylethyl Ester chemical structure, C27H34N4O3, CAS 857904-20-2
N-[(1S,2S)-2-Hydroxy-1-(phenylmethyl)-3-[1-[[4-(2-pyridinyl)phenyl]methyl]hydrazinyl]propyl]carbamic Acid 1,1-Dimethylethyl Ester
CAS 857904-20-2C27H34N4O3
Methyl ((S)-1-(2-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazineyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate chemical structure, C30H39N5O4, CAS 1003889-62-0
Methyl ((S)-1-(2-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazineyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
CAS 1003889-62-0C30H39N5O4