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Murcko scaffold

Ring system with 4 rings and 17 atoms

32 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
17
Chemicals
32
With full pages
8
Scaffold SMILES

c1ncc2sc3nc4c(cc3c2n1)COCC4

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 c1ncc2sc3nc4c(cc3c2n1)COCC4

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 32 of 32 chemicals

2-[(5,5-Dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)-(2-hydroxyethyl)amino]ethanol chemical structure, C18H22N4O3S, CAS 487023-88-1
2-[(5,5-Dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-yl)-(2-hydroxyethyl)amino]ethanol
CAS 487023-88-1C18H22N4O3S
6H-7-Oxa-11-thia-2,4,10-triazabenzo[b]fluorene, 1-methoxy-8,8-dimethyl-8,9-dihydro- chemical structure, C15H15N3O2S, CAS 380593-84-0
6H-7-Oxa-11-thia-2,4,10-triazabenzo[b]fluorene, 1-methoxy-8,8-dimethyl-8,9-dihydro-
CAS 380593-84-0C15H15N3O2S
N-Isobutyl-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine chemical structure, C18H22N4OS, CAS 373375-14-5
N-Isobutyl-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CAS 373375-14-5C18H22N4OS
1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene chemical structure, C18H21N3O2S, CAS 384794-44-9
1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene
CAS 384794-44-9C18H21N3O2S
4-(Ethylsulfanyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine chemical structure, C16H17N3OS2, CAS 381206-27-5
4-(Ethylsulfanyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CAS 381206-27-5C16H17N3OS2
N,N-Diethyl-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine chemical structure, C18H22N4OS, CAS 364382-62-7
N,N-Diethyl-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CAS 364382-62-7C18H22N4OS
Methyl [(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetate chemical structure, C17H17N3O3S2, CAS 500146-70-3
Methyl [(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetate
CAS 500146-70-3C17H17N3O3S2
Ethyl 2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)thio)acetate chemical structure, C18H19N3O3S2, CAS 488732-77-0
Ethyl 2-((8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)thio)acetate
CAS 488732-77-0C18H19N3O3S2
8,8-Dimethyl-4-((2-methylallyl)thio)-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine chemical structure, C18H19N3OS2, CAS 381684-89-5
8,8-Dimethyl-4-((2-methylallyl)thio)-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CAS 381684-89-5C18H19N3OS2
1-Isobutoxy-3,8,8-trimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene chemical structure, C19H23N3O2S, CAS 488797-12-2
1-Isobutoxy-3,8,8-trimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene
CAS 488797-12-2C19H23N3O2S
N-Allyl-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine chemical structure, C18H20N4OS, CAS 375832-64-7
N-Allyl-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CAS 375832-64-7C18H20N4OS
4-(Hexyloxy)-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine chemical structure, C21H27N3O2S, CAS 500270-75-7
4-(Hexyloxy)-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CAS 500270-75-7C21H27N3O2S
N-Allyl-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine chemical structure, C17H18N4OS, CAS 303980-18-9
N-Allyl-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CAS 303980-18-9C17H18N4OS
2,8,8-Trimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine chemical structure, C20H25N3OS2, CAS 708993-61-7
2,8,8-Trimethyl-4-(pentylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CAS 708993-61-7C20H25N3OS2
N-Heptyl-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine chemical structure, C21H28N4OS, CAS 708994-07-4
N-Heptyl-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CAS 708994-07-4C21H28N4OS
4-(Allyloxy)-2-ethyl-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine chemical structure, C19H21N3O2S, CAS 708290-90-8
4-(Allyloxy)-2-ethyl-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CAS 708290-90-8C19H21N3O2S
3-((8,8-Dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amino)propan-1-ol chemical structure, C17H20N4O2S, CAS 303980-55-4
3-((8,8-Dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amino)propan-1-ol
CAS 303980-55-4C17H20N4O2S
8,8-Dimethyl-4-propoxy-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine chemical structure, C17H19N3O2S, CAS 374601-36-2
8,8-Dimethyl-4-propoxy-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CAS 374601-36-2C17H19N3O2S
N-Butyl-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine chemical structure, C19H24N4OS, CAS 374614-05-8
N-Butyl-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CAS 374614-05-8C19H24N4OS
2-((8,8-Dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amino)ethanol chemical structure, C16H18N4O2S, CAS 375838-12-3
2-((8,8-Dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amino)ethanol
CAS 375838-12-3C16H18N4O2S
2-((2,8,8-Trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amino)ethanol chemical structure, C17H20N4O2S, CAS 381209-51-4
2-((2,8,8-Trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)amino)ethanol
CAS 381209-51-4C17H20N4O2S
8,8-Dimethyl-4-(propylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine chemical structure, C17H19N3OS2, CAS 381693-54-5
8,8-Dimethyl-4-(propylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CAS 381693-54-5C17H19N3OS2
4-(Butylsulfanyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine chemical structure, C18H21N3OS2, CAS 381708-84-5
4-(Butylsulfanyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CAS 381708-84-5C18H21N3OS2
(8,8-Dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluoren-1-ylsulfanyl)-acetic acid chemical structure, C16H15N3O3S2, CAS 488715-15-7
(8,8-Dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluoren-1-ylsulfanyl)-acetic acid
CAS 488715-15-7C16H15N3O3S2