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Murcko scaffold

Ring system with 3 rings and 17 atoms

21 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
21
With full pages
4
Scaffold SMILES

O=c1[nH]c2cncnc2n1Cc1ccccc1

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]c2cncnc2n1Cc1ccccc1

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 21 of 21 chemicals

9-Benzyl-2-butoxy-8-hydroxyadenine chemical structure, C16H19N5O2, CAS 226906-84-9
9-Benzyl-2-butoxy-8-hydroxyadenine
CAS 226906-84-9C16H19N5O2
8H-Purin-8-one, 6-amino-7,9-dihydro-9-(phenylmethyl)-2-(propylthio)- chemical structure, C15H17N5OS, CAS 226906-68-9
8H-Purin-8-one, 6-amino-7,9-dihydro-9-(phenylmethyl)-2-(propylthio)-
CAS 226906-68-9C15H17N5OS
9-Benzyl-8-hydroxy-2-(2-methoxyethoxy)adenine chemical structure, C15H17N5O3, CAS 226907-52-4
9-Benzyl-8-hydroxy-2-(2-methoxyethoxy)adenine
CAS 226907-52-4C15H17N5O3
2-Butoxy-8-hydroxy-9-(3-methoxycarbonylbenzyl)adenine chemical structure, C18H21N5O4, CAS 677773-73-8
2-Butoxy-8-hydroxy-9-(3-methoxycarbonylbenzyl)adenine
CAS 677773-73-8C18H21N5O4
4-[6-Amino-8-hydroxy-2-(2-methoxyethoxy)purin-9-ylmethyl]benzaldehyde chemical structure, C16H17N5O4, CAS 927822-45-5
4-[6-Amino-8-hydroxy-2-(2-methoxyethoxy)purin-9-ylmethyl]benzaldehyde
CAS 927822-45-5C16H17N5O4
Methyl 2-(3-((6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)methyl)phenyl)acetate chemical structure, C19H23N5O4, CAS 677773-91-0
Methyl 2-(3-((6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)methyl)phenyl)acetate
CAS 677773-91-0C19H23N5O4
4-((6-Amino-2-(2-methoxyethoxy)-8-oxo-7,8-dihydro-9H-purin-9-yl)methyl)benzoic acid chemical structure, C16H17N5O5, CAS 1062444-54-5
4-((6-Amino-2-(2-methoxyethoxy)-8-oxo-7,8-dihydro-9H-purin-9-yl)methyl)benzoic acid
CAS 1062444-54-5C16H17N5O5
4-((6-Amino-2-(2-methoxyethoxy)-8-oxo-7,8-dihydro-9H-purin-9-yl)methyl)benzonitrile chemical structure, C16H16N6O3, CAS 1096159-02-2
4-((6-Amino-2-(2-methoxyethoxy)-8-oxo-7,8-dihydro-9H-purin-9-yl)methyl)benzonitrile
CAS 1096159-02-2C16H16N6O3
6-Amino-9-benzyl-7-methyl-7H-purin-8(9H)-one chemical structure, C13H13N5O, CAS 88420-69-3
6-Amino-9-benzyl-7-methyl-7H-purin-8(9H)-one
CAS 88420-69-3C13H13N5O
6-Amino-9-benzyl-7-ethyl-7H-purin-8(9H)-one chemical structure, C14H15N5O, CAS 88420-70-6
6-Amino-9-benzyl-7-ethyl-7H-purin-8(9H)-one
CAS 88420-70-6C14H15N5O
4-[[6-Amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-2-oxoethyl]benzamide chemical structure, C29H47N11O3, CAS 1548551-79-6
4-[[6-Amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-2-oxoethyl]benzamide
CAS 1548551-79-6C29H47N11O3
Glycine,N-[4-[[6-amino-2-(butylamino)-7,8-dihydro-8-oxo-9H-purin-9-yl]methyl]benzoyl] chemical structure, C19H23N7O4, CAS 1510712-69-2
Glycine,N-[4-[[6-amino-2-(butylamino)-7,8-dihydro-8-oxo-9H-purin-9-yl]methyl]benzoyl]
CAS 1510712-69-2C19H23N7O4
4-[(6-Amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]benzoic acid chemical structure, C17H19N5O4, CAS 1641544-09-3
4-[(6-Amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]benzoic acid
CAS 1641544-09-3C17H19N5O4
4-[[4-[[6-Amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methylamino]-4-oxobutanoic acid chemical structure, C20H24N6O6, CAS 1429327-81-0
4-[[4-[[6-Amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methylamino]-4-oxobutanoic acid
CAS 1429327-81-0C20H24N6O6
3-[2-[2-[[4-[[4-[[6-Amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]propanoic acid chemical structure, C27H37N7O9, CAS 2064235-35-2
3-[2-[2-[[4-[[4-[[6-Amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]propanoic acid
CAS 2064235-35-2C27H37N7O9
1-(4-((6-Amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9(8H)-yl)methyl)phenyl)-3,6-dioxo-10,13,16-trioxa-2,7-diazanonadecan-19-oic acid chemical structure, C29H41N7O10, CAS 2497351-72-9
1-(4-((6-Amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9(8H)-yl)methyl)phenyl)-3,6-dioxo-10,13,16-trioxa-2,7-diazanonadecan-19-oic acid
CAS 2497351-72-9C29H41N7O10
DOPE-TLR7a chemical structure, C57H93N6O12P, CAS 1149339-78-5
DOPE-TLR7a
CAS 1149339-78-5C57H93N6O12P
[(2R)-3-[2-[[4-[[6-Amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate chemical structure, C57H93N6O12P
[(2R)-3-[2-[[4-[[6-Amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
C57H93N6O12P
[(2R)-3-[2-[[4-[[6-Amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-octadec-9-enoyloxypropyl] octadec-9-enoate chemical structure, C57H93N6O12P
[(2R)-3-[2-[[4-[[6-Amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-octadec-9-enoyloxypropyl] octadec-9-enoate
C57H93N6O12P
6-Amino-9-benzyl-N-ethyl-2-(ethylsulfonimidoyl)-N-methyl-8-oxopurine-7-carboxamide chemical structure, C18H23N7O3S, CAS 2590725-88-3
6-Amino-9-benzyl-N-ethyl-2-(ethylsulfonimidoyl)-N-methyl-8-oxopurine-7-carboxamide
CAS 2590725-88-3C18H23N7O3S
6-Amino-9-benzyl-2-((1,1,1-trifluoropropan-2-yl)oxy)-9H-purin-8-ol chemical structure, C15H14F3N5O2, CAS 3031612-93-5
6-Amino-9-benzyl-2-((1,1,1-trifluoropropan-2-yl)oxy)-9H-purin-8-ol
CAS 3031612-93-5C15H14F3N5O2