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Murcko scaffold

Ring system with 5 rings and 22 atoms

22 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
22
Chemicals
22
With full pages
4
Scaffold SMILES

c1ncc2ncn(C3CC4OC5CCCOC5CC4O3)c2n1

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 c1ncc2ncn(C3CC4OC5CCCOC5CC4O3)c2n1

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 22 of 22 chemicals

Herbicidin B chemical structure, C18H23N5O9, CAS 55353-32-7
Herbicidin B
CAS 55353-32-7C18H23N5O9
5-(6-Aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid chemical structure, C16H19N5O9
5-(6-Aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid
C16H19N5O9
D-arabino-alpha-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronic acid,1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-, 8-((2E)-2-methyl-2-butenoate), (7R)- chemical structure, C21H25N5O10, CAS 72283-62-6
D-arabino-alpha-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronic acid,1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-, 8-((2E)-2-methyl-2-butenoate), (7R)-
CAS 72283-62-6C21H25N5O10
Herbicidin F chemical structure, C23H29N5O10, CAS 72283-61-5
Herbicidin F
CAS 72283-61-5C23H29N5O10
Herbicidin A chemical structure, C23H29N5O11, CAS 55353-31-6
Herbicidin A
CAS 55353-31-6C23H29N5O11
Methyl 2-(6-amino-9H-purin-9-yl)-4a,6-dihydroxy-5-((2-(hydroxymethyl)pent-2-enoyl)oxy)-3-methoxydecahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylate chemical structure, C24H31N5O11, CAS 252034-60-9
Methyl 2-(6-amino-9H-purin-9-yl)-4a,6-dihydroxy-5-((2-(hydroxymethyl)pent-2-enoyl)oxy)-3-methoxydecahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylate
CAS 252034-60-9C24H31N5O11
Aureonuclemycin chemical structure, C16H19N5O9, CAS 123970-01-4
Aureonuclemycin
CAS 123970-01-4C16H19N5O9
9'-Deoxy-8',8'-dihydroxyherbicidin B chemical structure, C18H23N5O9, CAS 1569269-03-9
9'-Deoxy-8',8'-dihydroxyherbicidin B
CAS 1569269-03-9C18H23N5O9
8'-Epi-herbicidin B chemical structure, C18H23N5O9, CAS 1569269-04-0
8'-Epi-herbicidin B
CAS 1569269-04-0C18H23N5O9
2'-O-Demethylherbicidin F chemical structure, C22H27N5O10, CAS 1569269-02-8
2'-O-Demethylherbicidin F
CAS 1569269-02-8C22H27N5O10
Aureofuscin chemical structure, C16H19N5O9, CAS 58194-38-0
Aureofuscin
CAS 58194-38-0C16H19N5O9
Herbicidin H chemical structure, C22H27N5O11, CAS 229622-77-9
Herbicidin H
CAS 229622-77-9C22H27N5O11
Herbicidin E chemical structure, C22H29N5O10, CAS 72067-15-3
Herbicidin E
CAS 72067-15-3C22H29N5O10
Herbicidin C chemical structure, C17H21N5O9, CAS 72067-14-2
Herbicidin C
CAS 72067-14-2C17H21N5O9
Herbicidin K chemical structure, C22H27N5O10
Herbicidin K
C22H27N5O10
5-(6-Aminopurin-9-yl)-1,12-dihydroxy-13-[2-(hydroxymethyl)but-2-enoyloxy]-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid chemical structure, C22H27N5O11
5-(6-Aminopurin-9-yl)-1,12-dihydroxy-13-[2-(hydroxymethyl)but-2-enoyloxy]-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid
C22H27N5O11
9'-Deoxy-8',8'-dihydroxyherbicidin chemical structure, C18H23N5O9
9'-Deoxy-8',8'-dihydroxyherbicidin
C18H23N5O9
Methyl (2R,3R,3aS,4aR,5R,6S,7S,8aR,9aR)-2-(6-amino-9H-purin-9-yl)-4a,6-dihydroxy-3-methoxy-5-(((E)-2-methylbut-2-enoyl)oxy)decahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylate chemical structure, C23H29N5O10, CAS 2088328-86-1
Methyl (2R,3R,3aS,4aR,5R,6S,7S,8aR,9aR)-2-(6-amino-9H-purin-9-yl)-4a,6-dihydroxy-3-methoxy-5-(((E)-2-methylbut-2-enoyl)oxy)decahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylate
CAS 2088328-86-1C23H29N5O10
(2R,3R,3aS,4aS,5S,6S,7S,8aR,9aR)-2-(6-Amino-9H-purin-9-yl)-4a,5,6-trihydroxy-3-methoxydecahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylic acid chemical structure, C17H21N5O9, CAS 2342577-62-0
(2R,3R,3aS,4aS,5S,6S,7S,8aR,9aR)-2-(6-Amino-9H-purin-9-yl)-4a,5,6-trihydroxy-3-methoxydecahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylic acid
CAS 2342577-62-0C17H21N5O9
Methyl (2R,3R,3aR,4aR,5S,6S,7S,8aR,9aR)-2-(6-amino-9H-purin-9-yl)-3,6-dihydroxy-4a-methoxy-5-(((E)-2-methylbut-2-enoyl)oxy)decahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylate chemical structure, C23H29N5O10, CAS 252852-77-0
Methyl (2R,3R,3aR,4aR,5S,6S,7S,8aR,9aR)-2-(6-amino-9H-purin-9-yl)-3,6-dihydroxy-4a-methoxy-5-(((E)-2-methylbut-2-enoyl)oxy)decahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylate
CAS 252852-77-0C23H29N5O10
Methyl (2R,3R,3aS,4aS,5S,6S,7S,8aS,9aR)-2-(6-amino-9H-purin-9-yl)-4a,5,6-trihydroxy-3-methoxydecahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylate chemical structure, C18H23N5O9, CAS 252062-10-5
Methyl (2R,3R,3aS,4aS,5S,6S,7S,8aS,9aR)-2-(6-amino-9H-purin-9-yl)-4a,5,6-trihydroxy-3-methoxydecahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylate
CAS 252062-10-5C18H23N5O9
Methyl (2R,3R,3aR,4aR,5S,6S,7S,8aR,9aR)-2-(6-amino-9H-purin-9-yl)-3,4a,6-trihydroxy-5-(((E)-2-(hydroxymethyl)but-2-enoyl)oxy)decahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylate chemical structure, C22H27N5O11, CAS 2342577-63-1
Methyl (2R,3R,3aR,4aR,5S,6S,7S,8aR,9aR)-2-(6-amino-9H-purin-9-yl)-3,4a,6-trihydroxy-5-(((E)-2-(hydroxymethyl)but-2-enoyl)oxy)decahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylate
CAS 2342577-63-1C22H27N5O11