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Murcko scaffold

Ring system with 3 rings and 18 atoms

30 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
30
With full pages
8
Scaffold SMILES

c1ccc(CCc2cnc3ncncc3n2)cc1

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 c1ccc(CCc2cnc3ncncc3n2)cc1

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 30 of 30 chemicals

10-Deazaaminopterin chemical structure, C20H21N7O5, CAS 52454-37-2
10-Deazaaminopterin
CAS 52454-37-2C20H21N7O5
9-Methyl-10-deazaminopterin chemical structure, C21H23N7O5, CAS 122594-35-8
9-Methyl-10-deazaminopterin
CAS 122594-35-8C21H23N7O5
10-Methyl-10-deazaaminopterin chemical structure, C21H23N7O5, CAS 80576-77-8
10-Methyl-10-deazaaminopterin
CAS 80576-77-8C21H23N7O5
10,10-Dimethyl-10-deazaaminopterin chemical structure, C22H25N7O5, CAS 80576-88-1
10,10-Dimethyl-10-deazaaminopterin
CAS 80576-88-1C22H25N7O5
Pralatrexate chemical structure, C23H23N7O5, CAS 146464-95-1
Pralatrexate
CAS 146464-95-1C23H23N7O5
Edatrexate chemical structure, C22H25N7O5, CAS 80576-83-6
Edatrexate
CAS 80576-83-6C22H25N7O5
gamma-Methylene-10-deazaaminopterin chemical structure, C21H21N7O5, CAS 176857-41-3
gamma-Methylene-10-deazaaminopterin
CAS 176857-41-3C21H21N7O5
4-[1-(2,4-Diaminopteridin-6-yl)butan-2-yl]benzoic acid chemical structure, C17H18N6O2, CAS 80576-81-4
4-[1-(2,4-Diaminopteridin-6-yl)butan-2-yl]benzoic acid
CAS 80576-81-4C17H18N6O2
Benzoic acid, 4-[2-(2,4-diamino-6-pteridinyl)ethyl]- chemical structure, C15H14N6O2, CAS 33047-42-6
Benzoic acid, 4-[2-(2,4-diamino-6-pteridinyl)ethyl]-
CAS 33047-42-6C15H14N6O2
10-Propargyl-10-carboxy-4-deoxy-4-amino-10-deazapteroic acid chemical structure, C19H16N6O4, CAS 146464-92-8
10-Propargyl-10-carboxy-4-deoxy-4-amino-10-deazapteroic acid
CAS 146464-92-8C19H16N6O4
Methyl 4-(2-((2,4-diaminopteridin-6-yl)methyl)-1-methoxy-1-oxopent-4-yn-2-yl)benzoate chemical structure, C21H20N6O4, CAS 146464-91-7
Methyl 4-(2-((2,4-diaminopteridin-6-yl)methyl)-1-methoxy-1-oxopent-4-yn-2-yl)benzoate
CAS 146464-91-7C21H20N6O4
4-(1-(2,4-Diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid chemical structure, C18H16N6O2, CAS 146464-93-9
4-(1-(2,4-Diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid
CAS 146464-93-9C18H16N6O2
Vsy76QX27U chemical structure, C18H18N6O4, CAS 208709-01-7
Vsy76QX27U
CAS 208709-01-7C18H18N6O4
Pralatrexate, (R)- chemical structure, C23H23N7O5, CAS 1320211-70-8
Pralatrexate, (R)-
CAS 1320211-70-8C23H23N7O5
1,5-Diethyl N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-L-glutamate chemical structure, C27H31N7O5, CAS 146464-94-0
1,5-Diethyl N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-L-glutamate
CAS 146464-94-0C27H31N7O5
(2S)-Dimethyl 2-(4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzamido)pentanedioate chemical structure, C25H27N7O5, CAS 374777-77-2
(2S)-Dimethyl 2-(4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzamido)pentanedioate
CAS 374777-77-2C25H27N7O5
4-[1-(2,4-Diaminopteridin-6-yl)propan-2-yl]benzoic acid chemical structure, C16H16N6O2, CAS 80576-76-7
4-[1-(2,4-Diaminopteridin-6-yl)propan-2-yl]benzoic acid
CAS 80576-76-7C16H16N6O2
4-[1-(2,4-Diaminopteridin-6-yl)-2-methylpropan-2-yl]benzoic acid chemical structure, C17H18N6O2, CAS 80576-86-9
4-[1-(2,4-Diaminopteridin-6-yl)-2-methylpropan-2-yl]benzoic acid
CAS 80576-86-9C17H18N6O2
Pralatrexate, (S)- chemical structure, C23H23N7O5, CAS 1320211-69-5
Pralatrexate, (S)-
CAS 1320211-69-5C23H23N7O5
N-{4-[(2R)-1-(2,4-Diaminopteridin-6-yl)propan-2-yl]benzoyl}-L-glutamic acid chemical structure, C21H23N7O5, CAS 102339-20-8
N-{4-[(2R)-1-(2,4-Diaminopteridin-6-yl)propan-2-yl]benzoyl}-L-glutamic acid
CAS 102339-20-8C21H23N7O5
Methyl 4-(2-((2,4-diaminopteridin-6-yl)methyl)-1-methoxy-1-oxopent-4-yn-2-yl)benzoate hydrobromide chemical structure, C21H21BrN6O4, CAS 1548618-47-8
Methyl 4-(2-((2,4-diaminopteridin-6-yl)methyl)-1-methoxy-1-oxopent-4-yn-2-yl)benzoate hydrobromide
CAS 1548618-47-8C21H21BrN6O4
Lithium 4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoate chemical structure, C18H15LiN6O2, CAS 1445586-53-7
Lithium 4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoate
CAS 1445586-53-7C18H15LiN6O2
2,4-Diamino-alpha-(4-carboxyphenyl)-6-pteridinepropanoic acid chemical structure, C16H14N6O4, CAS 1445586-48-0
2,4-Diamino-alpha-(4-carboxyphenyl)-6-pteridinepropanoic acid
CAS 1445586-48-0C16H14N6O4
Methyl pralatrexate chemical structure, C24H25N7O5, CAS 1548618-62-7
Methyl pralatrexate
CAS 1548618-62-7C24H25N7O5