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Murcko scaffold

Ring system with 4 rings and 27 atoms

11 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
27
Chemicals
11
With full pages
0
Scaffold SMILES

O=C(NC1CCCc2ccccc21)C1CCCN1C(=O)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(NC1CCCc2ccccc21)C1CCCN1C(=O)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 11 of 11 chemicals

(2S)-1-[(2S)-2-Cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide chemical structure, C27H40N4O3, CAS 847137-52-4
(2S)-1-[(2S)-2-Cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CAS 847137-52-4C27H40N4O3
A 410099.1, amine-Boc chemical structure, C32H49N5O5, CAS 1613552-03-6
A 410099.1, amine-Boc
CAS 1613552-03-6C32H49N5O5
Smac inhibitor 2 chemical structure, C27H41ClN4O3, CAS 762274-58-8
Smac inhibitor 2
CAS 762274-58-8C27H41ClN4O3
A 410099.1, amine-Boc hydrochloride chemical structure, C32H50ClN5O5, CAS 2374122-37-7
A 410099.1, amine-Boc hydrochloride
CAS 2374122-37-7C32H50ClN5O5
A 410099.1 amide-PEG3-amine-Boc chemical structure, C40H64N6O9, CAS 2415256-19-6
A 410099.1 amide-PEG3-amine-Boc
CAS 2415256-19-6C40H64N6O9
A 410099.1 amide-PEG2-amine-Boc chemical structure, C38H60N6O8, CAS 2415256-16-3
A 410099.1 amide-PEG2-amine-Boc
CAS 2415256-16-3C38H60N6O8
Orb1984557 chemical structure, C37H58N6O6, CAS 2415256-18-5
Orb1984557
CAS 2415256-18-5C37H58N6O6
(2S,4S)-4-Amino-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide chemical structure, C27H41N5O3, CAS 3013618-80-6
(2S,4S)-4-Amino-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CAS 3013618-80-6C27H41N5O3
A 410099.1 amide-PEG4-amine chemical structure, C42H68N6O10, CAS 2446474-10-6
A 410099.1 amide-PEG4-amine
CAS 2446474-10-6C42H68N6O10
Orb1694570 chemical structure, C44H72N6O11, CAS 2446474-11-7
Orb1694570
CAS 2446474-11-7C44H72N6O11
tert-Butyl ((S)-1-(((S)-1-cyclohexyl-2-((2S,4S)-4-hydroxy-2-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyrrolidin-1-yl)-2-oxoethyl)amino)-1-oxopropan-2-yl)(methyl)carbamate chemical structure, C32H48N4O6, CAS 2241489-67-6
tert-Butyl ((S)-1-(((S)-1-cyclohexyl-2-((2S,4S)-4-hydroxy-2-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyrrolidin-1-yl)-2-oxoethyl)amino)-1-oxopropan-2-yl)(methyl)carbamate
CAS 2241489-67-6C32H48N4O6