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Murcko scaffold

Ring system with 4 rings and 19 atoms

10 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
19
Chemicals
10
With full pages
4
Scaffold SMILES

O=c1ccn(C2CC2)c2nc(N3CCCC3)ccc12

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=c1ccn(C2CC2)c2nc(N3CCCC3)ccc12

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 10 of 10 chemicals

PD 131628 chemical structure, C16H17FN4O3, CAS 127967-03-7
PD 131628
CAS 127967-03-7C16H17FN4O3
PD 118879 chemical structure, C16H17FN4O3, CAS 96568-33-1
PD 118879
CAS 96568-33-1C16H17FN4O3
PD 138312 chemical structure, C19H23FN4O3, CAS 107334-06-5
PD 138312
CAS 107334-06-5C19H23FN4O3
7-[(3R)-3-[(1S)-1-Aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid chemical structure, C18H21FN4O3, CAS 135026-90-3
7-[(3R)-3-[(1S)-1-Aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CAS 135026-90-3C18H21FN4O3
(S-(R,R))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid chemical structure, C18H21FN4O3, CAS 146981-10-4
(S-(R,R))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CAS 146981-10-4C18H21FN4O3
1,8-Naphthyridine-3-carboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo- chemical structure, C18H21FN4O3, CAS 113533-65-6
1,8-Naphthyridine-3-carboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-
CAS 113533-65-6C18H21FN4O3
1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-4-oxo-, monohydrochloride, (S)- chemical structure, C17H20ClFN4O3, CAS 138668-49-2
1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-4-oxo-, monohydrochloride, (S)-
CAS 138668-49-2C17H20ClFN4O3
PD 138312 hydrochloride chemical structure, C95H121Cl6F5N20O15, CAS 153566-55-3
PD 138312 hydrochloride
CAS 153566-55-3C95H121Cl6F5N20O15
7-[(3S)-3-{[N-(tert-Butoxycarbonyl)-L-alanyl]amino}pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid chemical structure, C24H30FN5O6, CAS 122536-91-8
7-[(3S)-3-{[N-(tert-Butoxycarbonyl)-L-alanyl]amino}pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
CAS 122536-91-8C24H30FN5O6
Gemifloxacin impurity chemical structure, C17H19FN4O4, CAS 213672-25-4
Gemifloxacin impurity
CAS 213672-25-4C17H19FN4O4