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Murcko scaffold

Ring system with 3 rings and 14 atoms

17 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
14
Chemicals
17
With full pages
8
Scaffold SMILES

c1cc(N2CCCC2)c2nonc2c1

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 c1cc(N2CCCC2)c2nonc2c1

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 17 of 17 chemicals

(2R)-1-(7-((Dimethylamino)sulfonyl)-2,1,3-benzoxadiazol-4-yl)-2-pyrrolidinecarbonyl chloride chemical structure, C13H15ClN4O4S, CAS 150993-62-7
(2R)-1-(7-((Dimethylamino)sulfonyl)-2,1,3-benzoxadiazol-4-yl)-2-pyrrolidinecarbonyl chloride
CAS 150993-62-7C13H15ClN4O4S
4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole chemical structure, C10H10N4O4, CAS 61785-63-5
4-Nitro-1-oxo-7-(pyrrolidin-1-yl)-2,1lambda~5~,3-benzoxadiazole
CAS 61785-63-5C10H10N4O4
7-(3-Aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide chemical structure, C12H17N5O3S
7-(3-Aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
C12H17N5O3S
L-Proline, 1-(7-nitro-2,1,3-benzoxadiazol-4-yl)- chemical structure, C11H10N4O5, CAS 81432-12-4
L-Proline, 1-(7-nitro-2,1,3-benzoxadiazol-4-yl)-
CAS 81432-12-4C11H10N4O5
(R)-(-)-DBD-APy (=(R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole) (HPLC Labeling Reagent for e.e. Determination) chemical structure, C12H17N5O3S, CAS 143112-49-6
(R)-(-)-DBD-APy (=(R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole) (HPLC Labeling Reagent for e.e. Determination)
CAS 143112-49-6C12H17N5O3S
(S)-(+)-DBD-APy (=(S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole) (HPLC Labeling Reagent for e.e. Determination) chemical structure, C12H17N5O3S, CAS 143112-50-9
(S)-(+)-DBD-APy (=(S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole) (HPLC Labeling Reagent for e.e. Determination)
CAS 143112-50-9C12H17N5O3S
(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole chemical structure, C10H11N5O3, CAS 143112-51-0
(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole
CAS 143112-51-0C10H11N5O3
(S)-(+)-4-(3-Amino-pyrrolidino)-7-nitrobenzofurazan chemical structure, C10H11N5O3, CAS 143112-52-1
(S)-(+)-4-(3-Amino-pyrrolidino)-7-nitrobenzofurazan
CAS 143112-52-1C10H11N5O3
(R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole chemical structure, C13H15N5O3S2, CAS 163927-31-9
(R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole
CAS 163927-31-9C13H15N5O3S2
(R)-(-)-NBD-Py-NCS (=(R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole) (HPLC Labeling Reagent for e.e. Determination) chemical structure, C11H9N5O3S, CAS 163927-29-5
(R)-(-)-NBD-Py-NCS (=(R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole) (HPLC Labeling Reagent for e.e. Determination)
CAS 163927-29-5C11H9N5O3S
(S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole chemical structure, C13H15N5O3S2, CAS 163927-32-0
(S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole
CAS 163927-32-0C13H15N5O3S2
(S)-(+)-NBD-Py-NCS (=(S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole) (HPLC Labeling Reagent for e.e. Determination) chemical structure, C11H9N5O3S, CAS 163927-30-8
(S)-(+)-NBD-Py-NCS (=(S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole) (HPLC Labeling Reagent for e.e. Determination)
CAS 163927-30-8C11H9N5O3S
2-Pyrrolidinecarbonyl chloride, 1-(7-((dimethylamino)sulfonyl)-2,1,3-benzoxadiazol-4-yl)-, (S)- chemical structure, C13H15ClN4O4S, CAS 150993-63-8
2-Pyrrolidinecarbonyl chloride, 1-(7-((dimethylamino)sulfonyl)-2,1,3-benzoxadiazol-4-yl)-, (S)-
CAS 150993-63-8C13H15ClN4O4S
(R)-(+)-NBD-Pro-COCl chemical structure, C11H9ClN4O4, CAS 159717-69-8
(R)-(+)-NBD-Pro-COCl
CAS 159717-69-8C11H9ClN4O4
(S)-(-)-NBD-Pro-COCl chemical structure, C11H9ClN4O4, CAS 159717-68-7
(S)-(-)-NBD-Pro-COCl
CAS 159717-68-7C11H9ClN4O4
1-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-D-proline chemical structure, C11H10N4O5, CAS 159717-70-1
1-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-D-proline
CAS 159717-70-1C11H10N4O5
(2S,4R)-4-Hydroxy-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carboxylic acid chemical structure, C11H10N4O6, CAS 76461-18-2
(2S,4R)-4-Hydroxy-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carboxylic acid
CAS 76461-18-2C11H10N4O6