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Murcko scaffold

SQ 21978 scaffold

7 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
11
Chemicals
7
With full pages
3
Scaffold SMILES

O=c1[nH]cnc2[nH]c(=S)[nH]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 scaffoldOpen the SQ 21978 page
Murcko scaffold O=c1[nH]cnc2[nH]c(=S)[nH]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 7 of 7 chemicals

1-Ethyl-2,7-dimethyl-8-sulfanylidene-1,7,8,9-tetrahydro-6H-purin-6-one chemical structure, C9H12N4OS, CAS 83334-80-9
1-Ethyl-2,7-dimethyl-8-sulfanylidene-1,7,8,9-tetrahydro-6H-purin-6-one
CAS 83334-80-9C9H12N4OS
2-Amino-1-methyl-8-sulfanylidene-1,7,8,9-tetrahydro-6H-purin-6-one chemical structure, C6H7N5OS, CAS 116142-55-3
2-Amino-1-methyl-8-sulfanylidene-1,7,8,9-tetrahydro-6H-purin-6-one
CAS 116142-55-3C6H7N5OS
3-(8-Mercapto-6-oxo-1,6-dihydro-purin-9-yl)-propionitrile chemical structure, C8H7N5OS, CAS 385379-00-0
3-(8-Mercapto-6-oxo-1,6-dihydro-purin-9-yl)-propionitrile
CAS 385379-00-0C8H7N5OS
SQ 21978 chemical structure, C5H4N4OS, CAS 6305-94-8
SQ 21978
CAS 6305-94-8C5H4N4OS
2-Amino-1,7,8,9-tetrahydro-2-thioxo-6H-purin-6-one chemical structure, C5H5N5OS, CAS 28128-40-7
2-Amino-1,7,8,9-tetrahydro-2-thioxo-6H-purin-6-one
CAS 28128-40-7C5H5N5OS
2-Methyl-8-sulfanylidene-7,9-dihydro-3H-purin-6-one chemical structure, C6H6N4OS, CAS 6267-91-0
2-Methyl-8-sulfanylidene-7,9-dihydro-3H-purin-6-one
CAS 6267-91-0C6H6N4OS
tert-Butyl N-(6-hydroxy-8-sulfanyl-7H-purin-2-yl)carbamate chemical structure, C10H13N5O3S, CAS 2639423-85-9
tert-Butyl N-(6-hydroxy-8-sulfanyl-7H-purin-2-yl)carbamate
CAS 2639423-85-9C10H13N5O3S