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Murcko scaffold

Ring system with 4 rings and 22 atoms

11 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
11
With full pages
2
Scaffold SMILES

c1ccc(CNc2ncnc3c2ncn3C2CCCS2)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(CNc2ncnc3c2ncn3C2CCCS2)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 11 of 11 chemicals

2-Chloro-2',3'-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-N-[(3-iodophenyl)methyl]-4'-thioadenosine chemical structure, C29H45ClIN5O3SSi2, CAS 596103-14-9
2-Chloro-2',3'-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-N-[(3-iodophenyl)methyl]-4'-thioadenosine
CAS 596103-14-9C29H45ClIN5O3SSi2
(2S,3S,4R,5R)-5-[2-Chloro-6-(2-methyl-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic acid methylamide chemical structure, C19H21ClN6O3S, CAS 871914-25-9
(2S,3S,4R,5R)-5-[2-Chloro-6-(2-methyl-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic acid methylamide
CAS 871914-25-9C19H21ClN6O3S
(2S,3S,4R,5R)-5-(6-(3-Iodobenzylamino)-2-chloro-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide chemical structure, C19H20ClIN6O3S, CAS 871914-13-5
(2S,3S,4R,5R)-5-(6-(3-Iodobenzylamino)-2-chloro-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide
CAS 871914-13-5C19H20ClIN6O3S
(2S,3S,4R,5R)-5-(6-(3-Iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-isopentyl-tetrahydrothiophene-2-carboxamide chemical structure, C22H26ClIN6O3S, CAS 871914-14-6
(2S,3S,4R,5R)-5-(6-(3-Iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-isopentyl-tetrahydrothiophene-2-carboxamide
CAS 871914-14-6C22H26ClIN6O3S
(2S,3S,4R,5R)-5-[2-Chloro-6-(2-methyl-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic acid ethylamide chemical structure, C20H23ClN6O3S, CAS 871914-26-0
(2S,3S,4R,5R)-5-[2-Chloro-6-(2-methyl-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-thiophene-2-carboxylic acid ethylamide
CAS 871914-26-0C20H23ClN6O3S
1-[2-Chloro-6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-1-deoxy-2,3-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-4-thio-|A-Dribofuranuronicacid chemical structure, C29H43ClIN5O4SSi2, CAS 871913-94-9
1-[2-Chloro-6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-1-deoxy-2,3-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-4-thio-|A-Dribofuranuronicacid
CAS 871913-94-9C29H43ClIN5O4SSi2
LJ-529 chemical structure, C18H18ClIN6O3S, CAS 596103-01-4
LJ-529
CAS 596103-01-4C18H18ClIN6O3S
LJ-2698 chemical structure, C16H15Cl2N5O2S, CAS 945457-84-1
LJ-2698
CAS 945457-84-1C16H15Cl2N5O2S
(2S,3S,4R,5R)-5-(6-(3-Iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide chemical structure, C18H19IN6O3S, CAS 1008705-32-5
(2S,3S,4R,5R)-5-(6-(3-Iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide
CAS 1008705-32-5C18H19IN6O3S
9-(5''-Ethylaminocarbonyl-4-thio-beta-D-ribofuranosyl)-N6-(3-iodo-benzyl)adenine chemical structure, C19H21IN6O3S, CAS 1203544-83-5
9-(5''-Ethylaminocarbonyl-4-thio-beta-D-ribofuranosyl)-N6-(3-iodo-benzyl)adenine
CAS 1203544-83-5C19H21IN6O3S
2-Chloro-n6-(3-iodobenzyl)-4'-thioadenosine chemical structure, C17H17ClIN5O3S, CAS 683275-17-4
2-Chloro-n6-(3-iodobenzyl)-4'-thioadenosine
CAS 683275-17-4C17H17ClIN5O3S