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Murcko scaffold

Ring system with 3 rings and 17 atoms

48 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 17
Chemicals: 48
With full pages: 3

Scaffold SMILES

C(=Nc1cc2c(s1)CCCC2)c1ccccc1

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 C(=Nc1cc2c(s1)CCCC2)c1ccccc1

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 48 of 48 chemicals

2-[(Z)-[(2,4-Dihydroxyphenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile chemical structure, C16H14N2O2S

2-[(Z)-[(2,4-Dihydroxyphenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

C₁₆H₁₄N₂O₂S

Ethyl 2-[(2-chloro-4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C18H17ClN2O4S

Ethyl 2-[(2-chloro-4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

C₁₈H₁₇ClN₂O₄S

2-((2-Chlorobenzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile chemical structure, C17H15ClN2S, CAS 331962-70-0

2-((2-Chlorobenzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS 331962-70-0C₁₇H₁₅ClN₂S

6-Methyl-2-((4-nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile chemical structure, C17H15N3O2S, CAS 331962-75-5

6-Methyl-2-((4-nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS 331962-75-5C₁₇H₁₅N₃O₂S

6-Methyl-2-((3-nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile chemical structure, C17H15N3O2S, CAS 331962-76-6

6-Methyl-2-((3-nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS 331962-76-6C₁₇H₁₅N₃O₂S

Ethyl 6-methyl-2-((3-nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C19H20N2O4S, CAS 331962-77-7

Ethyl 6-methyl-2-((3-nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

CAS 331962-77-7C₁₉H₂₀N₂O₄S

2-[(4-Hydroxy-3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile chemical structure, C16H13N3O3S

2-[(4-Hydroxy-3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

C₁₆H₁₃N₃O₃S

Ethyl 2-[(Z)-(4-hydroxy-3-nitrophenyl)methyleneamino]-1-thia-4,5,6,7-tetrahydro-3-indenecarboxylate chemical structure, C18H18N2O5S

Ethyl 2-[(Z)-(4-hydroxy-3-nitrophenyl)methyleneamino]-1-thia-4,5,6,7-tetrahydro-3-indenecarboxylate

C₁₈H₁₈N₂O₅S

Ethyl 4,5,6,7-tetrahydro-2-[[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]amino]benzo[b]thiophene-3-carboxylate chemical structure, C21H23NO3S, CAS 321945-26-0

Ethyl 4,5,6,7-tetrahydro-2-[[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]amino]benzo[b]thiophene-3-carboxylate

CAS 321945-26-0C₂₁H₂₃NO₃S

2-[[(2,5-Dimethoxyphenyl)methylene]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile chemical structure, C18H18N2O2S, CAS 324776-84-3

2-[[(2,5-Dimethoxyphenyl)methylene]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS 324776-84-3C₁₈H₁₈N₂O₂S

2-[(4-Methylbenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile chemical structure, C17H16N2S, CAS 304478-38-4

2-[(4-Methylbenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

CAS 304478-38-4C₁₇H₁₆N₂S

(E)-2-((4-Nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile chemical structure, C16H13N3O2S, CAS 69438-10-4

(E)-2-((4-Nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS 69438-10-4C₁₆H₁₃N₃O₂S

(E)-2-((3-Nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile chemical structure, C16H13N3O2S, CAS 304478-39-5

(E)-2-((3-Nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS 304478-39-5C₁₆H₁₃N₃O₂S

(E)-2-((4-(Dimethylamino)benzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile chemical structure, C18H19N3S, CAS 324059-26-9

(E)-2-((4-(Dimethylamino)benzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS 324059-26-9C₁₈H₁₉N₃S

(E)-2-((4-Methoxybenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile chemical structure, C17H16N2OS, CAS 1537173-79-7

(E)-2-((4-Methoxybenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS 1537173-79-7C₁₇H₁₆N₂OS

(E)-2-((4-(Dimethylamino)-3-nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile chemical structure, C18H18N4O2S, CAS 324059-38-3

(E)-2-((4-(Dimethylamino)-3-nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS 324059-38-3C₁₈H₁₈N₄O₂S

2-{[(E)-(2,4-Dimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile chemical structure, C18H18N2O2S, CAS 356586-75-9

2-{[(E)-(2,4-Dimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

CAS 356586-75-9C₁₈H₁₈N₂O₂S

(E)-2-(Benzylideneamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile chemical structure, C16H14N2S, CAS 142994-71-6

(E)-2-(Benzylideneamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS 142994-71-6C₁₆H₁₄N₂S

(E)-2-((3-Bromobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile chemical structure, C16H13BrN2S, CAS 325473-91-4

(E)-2-((3-Bromobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS 325473-91-4C₁₆H₁₃BrN₂S

Benzothiophene-3-carbonitrile, 4,5,6,7-tetrahydro-2-(4-chlorobenzylidenamino)- chemical structure, C16H13ClN2S, CAS 1346414-21-8

Benzothiophene-3-carbonitrile, 4,5,6,7-tetrahydro-2-(4-chlorobenzylidenamino)-

CAS 1346414-21-8C₁₆H₁₃ClN₂S

2-{[(E)-(2-Chlorophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile chemical structure, C16H13ClN2S, CAS 5380-99-4

2-{[(E)-(2-Chlorophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

CAS 5380-99-4C₁₆H₁₃ClN₂S

Benzothiophene-3-carbonitrile, 4,5,6,7-tetrahydro-2-(4-diethylamino-2-methoxybenzylidenamino)- chemical structure, C21H25N3OS, CAS 311774-01-3

Benzothiophene-3-carbonitrile, 4,5,6,7-tetrahydro-2-(4-diethylamino-2-methoxybenzylidenamino)-

CAS 311774-01-3C₂₁H₂₅N₃OS

(E)-2-((2,3-Dichlorobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile chemical structure, C16H12Cl2N2S, CAS 142994-73-8

(E)-2-((2,3-Dichlorobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS 142994-73-8C₁₆H₁₂Cl₂N₂S

(E)-2-((4-Bromobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile chemical structure, C16H13BrN2S, CAS 324065-90-9

(E)-2-((4-Bromobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

CAS 324065-90-9C₁₆H₁₃BrN₂S