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Murcko scaffold

Ring system with 4 rings and 18 atoms

9 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
18
Chemicals
9
With full pages
2
Scaffold SMILES

S=c1nc[nH]c2c1ncn2C1OCC2OCOC21

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 S=c1nc[nH]c2c1ncn2C1OCC2OCOC21

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 9 of 9 chemicals

2',3'-O-Isopropylidene-6-thioinosine chemical structure, C13H16N4O4S, CAS 5856-48-4
2',3'-O-Isopropylidene-6-thioinosine
CAS 5856-48-4C13H16N4O4S
Dibutyl [2,2-dimethyl-4-(6-sulfanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phosphate chemical structure, C21H33N4O7PS, CAS 6936-16-9
Dibutyl [2,2-dimethyl-4-(6-sulfanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phosphate
CAS 6936-16-9C21H33N4O7PS
[2,2-Dimethyl-4-(6-sulfanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate chemical structure, C14H17N5O5S, CAS 5856-50-8
[2,2-Dimethyl-4-(6-sulfanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate
CAS 5856-50-8C14H17N5O5S
2-Amino-9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3H-purine-6-thione chemical structure, C13H17N5O4S, CAS 4099-94-9
2-Amino-9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3H-purine-6-thione
CAS 4099-94-9C13H17N5O4S
2',3'-O-Isopropylidene-6-mercaptopurine riboside chemical structure, C13H16N4O4S
2',3'-O-Isopropylidene-6-mercaptopurine riboside
C13H16N4O4S
9-((3AR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-3,9-dihydro-6H-purine-6-thione chemical structure, C13H16N4O4S, CAS 1174456-62-2
9-((3AR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-3,9-dihydro-6H-purine-6-thione
CAS 1174456-62-2C13H16N4O4S
9-[(4S,6R)-6-(Hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3H-purine-6-thione chemical structure, C13H16N4O4S
9-[(4S,6R)-6-(Hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3H-purine-6-thione
C13H16N4O4S
2',3'-O-(1-Methylethylidene)-6-thio-5'-inosinic Acid Bis(1,1-Dimethylethyl) Ester chemical structure, C21H33N4O7PS, CAS 1375103-71-1
2',3'-O-(1-Methylethylidene)-6-thio-5'-inosinic Acid Bis(1,1-Dimethylethyl) Ester
CAS 1375103-71-1C21H33N4O7PS
2atrade mark,3atrade mark-O-(Methoxymethylene)-6-thio-guanosine chemical structure, C12H15N5O5S, CAS 1213237-01-4
2atrade mark,3atrade mark-O-(Methoxymethylene)-6-thio-guanosine
CAS 1213237-01-4C12H15N5O5S