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Murcko scaffold

Ring system with 4 rings and 25 atoms

16 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
16
With full pages
6
Scaffold SMILES

c1ccc(-c2csc(CC(Cn3cncn3)c3ccccc3)n2)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(-c2csc(CC(Cn3cncn3)c3ccccc3)n2)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 16 of 16 chemicals

Ravuconazole chemical structure, C22H17F2N5OS, CAS 182760-06-1
Ravuconazole
CAS 182760-06-1C22H17F2N5OS
Isavuconazole chemical structure, C22H17F2N5OS, CAS 241479-67-4
Isavuconazole
CAS 241479-67-4C22H17F2N5OS
4-(2-((1R,2R)-2-(2,4-Difluorophenyl)-1-methyl-2-((phosphonooxy)methoxy)-3-(1H-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)benzonitrile chemical structure, C23H20F2N5O5PS, CAS 351227-64-0
4-(2-((1R,2R)-2-(2,4-Difluorophenyl)-1-methyl-2-((phosphonooxy)methoxy)-3-(1H-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)benzonitrile
CAS 351227-64-0C23H20F2N5O5PS
4-[2-[3-(2,4-Difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile chemical structure, C22H17F2N5OS, CAS 170864-29-6
4-[2-[3-(2,4-Difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
CAS 170864-29-6C22H17F2N5OS
Isavuconazole impurity 24 chemical structure, C22H17F2N5OS, CAS 1176988-44-5
Isavuconazole impurity 24
CAS 1176988-44-5C22H17F2N5OS
Isavuconazole-D4 chemical structure, C22H17F2N5OS, CAS 1346598-58-0
Isavuconazole-D4
CAS 1346598-58-0C22H17F2N5OS
Ravuconazole-d4 chemical structure, C22H17F2N5OS
Ravuconazole-d4
C22H17F2N5OS
Isavuconazole impurity D chemical structure, C22H17F2N5OS, CAS 1797905-83-9
Isavuconazole impurity D
CAS 1797905-83-9C22H17F2N5OS
Fosravuconazole L-lysine ethanolate chemical structure, C31H40F2N7O8PS, CAS 914361-45-8
Fosravuconazole L-lysine ethanolate
CAS 914361-45-8C31H40F2N7O8PS
Fosravuconazole monolysine chemical structure, C29H34F2N7O7PS, CAS 914361-44-7
Fosravuconazole monolysine
CAS 914361-44-7C29H34F2N7O7PS
(S,S)-Isavuconazole chemical structure, C22H17F2N5OS, CAS 3094994-83-6
(S,S)-Isavuconazole
CAS 3094994-83-6C22H17F2N5OS
2,3,5,6-Tetradeuterio-4-[2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile chemical structure, C22H17F2N5OS, CAS 1329499-27-5
2,3,5,6-Tetradeuterio-4-[2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
CAS 1329499-27-5C22H17F2N5OS
[(2R,3R)-3-[4-(4-Cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl dihydrogen phosphate, bis((2S)-2,6-diaminohexanoic acid) chemical structure, C35H48F2N9O9PS, CAS 351228-71-2
[(2R,3R)-3-[4-(4-Cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl dihydrogen phosphate, bis((2S)-2,6-diaminohexanoic acid)
CAS 351228-71-2C35H48F2N9O9PS
1-[3-[4-(4-Cyanophenyl)-heteromonocycle-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-heteromonocycle-4-ium chloride chemical structure, C22H18ClF2N5OS, CAS 1121545-23-0
1-[3-[4-(4-Cyanophenyl)-heteromonocycle-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-heteromonocycle-4-ium chloride
CAS 1121545-23-0C22H18ClF2N5OS
4-(2-((2S,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile hydrochloride chemical structure, C22H18ClF2N5OS, CAS 1176834-54-0
4-(2-((2S,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile hydrochloride
CAS 1176834-54-0C22H18ClF2N5OS
di-tert-Butyl-[{(1R,2R)-2-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-1-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-ylmethyl)propyl}-oxy]methyl phosphate chemical structure, C31H34F2N5O5PS-2, CAS 351227-63-9
di-tert-Butyl-[{(1R,2R)-2-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-1-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-ylmethyl)propyl}-oxy]methyl phosphate
CAS 351227-63-9C31H34F2N5O5PS-2