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Murcko scaffold

Ring system with 3 rings and 17 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
6
With full pages
1
Scaffold SMILES

O=c1[nH]cnc2[nH]cc(CNC3C=CCC3)c12

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=c1[nH]cnc2[nH]cc(CNC3C=CCC3)c12

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 6 of 6 chemicals

Queuine chemical structure, C12H15N5O3, CAS 72496-59-4
Queuine
CAS 72496-59-4C12H15N5O3
2-Amino-5-[[(4,5-dihydroxycyclopent-2-en-1-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one chemical structure, C12H15N5O3
2-Amino-5-[[(4,5-dihydroxycyclopent-2-en-1-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
C12H15N5O3
2-Amino-5-[[[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one, hydrochloride chemical structure, C12H16ClN5O3, CAS 85549-16-2
2-Amino-5-[[[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one, hydrochloride
CAS 85549-16-2C12H16ClN5O3
Queuine hydrochloride chemical structure, C12H15N5O3
Queuine hydrochloride
C12H15N5O3
Rel-2-amino-5-((((1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl)amino)methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one chemical structure, C12H15N5O3, CAS 69565-92-0
Rel-2-amino-5-((((1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl)amino)methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CAS 69565-92-0C12H15N5O3
Queuine (dihydrochloride) chemical structure, C12H17Cl2N5O3, CAS 86496-18-6
Queuine (dihydrochloride)
CAS 86496-18-6C12H17Cl2N5O3