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Murcko scaffold

Ring system with 4 rings and 47 atoms

21 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
47
Chemicals
21
With full pages
4
Scaffold SMILES

O=C(CNC(=O)C(CC(Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1)NCc1ccccc1)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(CNC(=O)C(CC(Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1)NCc1ccccc1)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 21 of 21 chemicals

Sdz 283-910 chemical structure, C46H59N5O9, CAS 164514-54-9
Sdz 283-910
CAS 164514-54-9C46H59N5O9
(2R,3R,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide chemical structure, C43H53N5O6, CAS 161277-26-5
(2R,3R,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
CAS 161277-26-5C43H53N5O6
(2R,3R,4S)-N-(2-((4-Methoxyphenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide chemical structure, C44H55N5O7, CAS 161277-28-7
(2R,3R,4S)-N-(2-((4-Methoxyphenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
CAS 161277-28-7C44H55N5O7
(2R,3R,4S)-N-(2-((4-Chlorophenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide chemical structure, C43H52ClN5O6, CAS 161277-29-8
(2R,3R,4S)-N-(2-((4-Chlorophenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
CAS 161277-29-8C43H52ClN5O6
(2R,3S,4S)-N-(2-((4-Bromophenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide chemical structure, C43H52BrN5O6, CAS 161277-30-1
(2R,3S,4S)-N-(2-((4-Bromophenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
CAS 161277-30-1C43H52BrN5O6
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-leucyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide chemical structure, C44H55N5O6, CAS 161510-44-7
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-leucyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide
CAS 161510-44-7C44H55N5O6
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-isoleucyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide chemical structure, C44H55N5O6, CAS 161510-45-8
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-isoleucyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide
CAS 161510-45-8C44H55N5O6
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-tert-leucyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide chemical structure, C44H55N5O6, CAS 161277-27-6
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-tert-leucyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide
CAS 161277-27-6C44H55N5O6
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-2(S)-aminobutyryl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide chemical structure, C42H51N5O6, CAS 161510-46-9
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-2(S)-aminobutyryl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide
CAS 161510-46-9C42H51N5O6
Sdz 282395 chemical structure, C42H50N6O7, CAS 161510-48-1
Sdz 282395
CAS 161510-48-1C42H50N6O7
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-serinyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide chemical structure, C41H49N5O7, CAS 161594-19-0
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-serinyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
CAS 161594-19-0C41H49N5O7
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-glutamyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide chemical structure, C43H51N5O8, CAS 161389-22-6
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-glutamyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
CAS 161389-22-6C43H51N5O8
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-leucine benzylamide chemical structure, C44H55N5O6, CAS 161510-49-2
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-leucine benzylamide
CAS 161510-49-2C44H55N5O6
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-valyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-isoleucine benzylamide chemical structure, C44H55N5O6, CAS 161510-50-5
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-valyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-isoleucine benzylamide
CAS 161510-50-5C44H55N5O6
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-valyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-tert-leucine benzylamide chemical structure, C44H55N5O6, CAS 161510-51-6
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-valyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-tert-leucine benzylamide
CAS 161510-51-6C44H55N5O6
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)-D-tert-leucine benzylamide chemical structure, C44H55N5O6, CAS 161510-52-7
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)-D-tert-leucine benzylamide
CAS 161510-52-7C44H55N5O6
Sdz 282349 chemical structure, C42H50N6O7, CAS 161510-53-8
Sdz 282349
CAS 161510-53-8C42H50N6O7
SDZ 282714 chemical structure, C43H52BrN5O6, CAS 169438-16-8
SDZ 282714
CAS 169438-16-8C43H52BrN5O6
(2R,3S,4S)-N-(4-((N-((Benzyloxy)carbonyl)valyl)amino)-3-hydroxy-2-(4-methoxy-benzylamino)-5-phenylpentanoyl)valine 2,4-dimethoxybenzylamide chemical structure, C46H59N5O9, CAS 169305-67-3
(2R,3S,4S)-N-(4-((N-((Benzyloxy)carbonyl)valyl)amino)-3-hydroxy-2-(4-methoxy-benzylamino)-5-phenylpentanoyl)valine 2,4-dimethoxybenzylamide
CAS 169305-67-3C46H59N5O9
(2R,3S,4S)-N-(4-((N-((Benzyloxy)carbonyl)tert.leucinyl)amino)-3-hydroxy-2-(4-methoxy-benzylamino)-5-phenylpentanoyl)tert.leucine 2-hydroxy-4-methoxy-benzylamide chemical structure, C47H61N5O9, CAS 169305-68-4
(2R,3S,4S)-N-(4-((N-((Benzyloxy)carbonyl)tert.leucinyl)amino)-3-hydroxy-2-(4-methoxy-benzylamino)-5-phenylpentanoyl)tert.leucine 2-hydroxy-4-methoxy-benzylamide
CAS 169305-68-4C47H61N5O9
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-alanyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide chemical structure, C41H49N5O6, CAS 161594-18-9
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-alanyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide
CAS 161594-18-9C41H49N5O6