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Murcko scaffold

Ring system with 4 rings and 22 atoms

48 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 22
Chemicals: 48
With full pages: 3

Scaffold SMILES

O=c1[nH]c(SCc2ccccc2)nc2c1[nH]c1ccccc12

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 O=c1[nH]c(SCc2ccccc2)nc2c1[nH]c1ccccc12

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-(Benzylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C18H15N3OS, CAS 537668-28-3

2-(Benzylthio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 537668-28-3C₁₈H₁₅N₃OS

2-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one chemical structure, C18H14FN3OS, CAS 537668-30-7

2-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one

CAS 537668-30-7C₁₈H₁₄FN₃OS

3-Methyl-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one chemical structure, C19H17N3OS, CAS 537668-32-9

3-Methyl-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one

CAS 537668-32-9C₁₉H₁₇N₃OS

3-Methyl-2-((3-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C19H17N3OS, CAS 537668-34-1

3-Methyl-2-((3-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 537668-34-1C₁₉H₁₇N₃OS

2-((2,5-Dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C20H19N3OS, CAS 537668-35-2

2-((2,5-Dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 537668-35-2C₂₀H₁₉N₃OS

2-[(2-Fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one chemical structure, C18H14FN3OS, CAS 537668-41-0

2-[(2-Fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one

CAS 537668-41-0C₁₈H₁₄FN₃OS

3-Methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one chemical structure, C19H14F3N3OS, CAS 537668-38-5

3-Methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one

CAS 537668-38-5C₁₉H₁₄F₃N₃OS

3-Methyl-2-((4-(trifluoromethyl)benzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C19H14F3N3OS, CAS 537668-39-6

3-Methyl-2-((4-(trifluoromethyl)benzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 537668-39-6C₁₉H₁₄F₃N₃OS

2-[(4-Bromophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one chemical structure, C18H14BrN3OS, CAS 537668-54-5

2-[(4-Bromophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one

CAS 537668-54-5C₁₈H₁₄BrN₃OS

2-[(4-Chlorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one chemical structure, C18H14ClN3OS, CAS 537668-55-6

2-[(4-Chlorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one

CAS 537668-55-6C₁₈H₁₄ClN₃OS

2-((2-Chloro-6-fluorobenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C18H13ClFN3OS, CAS 537668-56-7

2-((2-Chloro-6-fluorobenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 537668-56-7C₁₈H₁₃ClFN₃OS

2-[(2-Chlorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one chemical structure, C18H14ClN3OS, CAS 537668-57-8

2-[(2-Chlorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one

CAS 537668-57-8C₁₈H₁₄ClN₃OS

2-((3,4-Dichlorobenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C18H13Cl2N3OS, CAS 537668-58-9

2-((3,4-Dichlorobenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 537668-58-9C₁₈H₁₃Cl₂N₃OS

8-Methoxy-3-methyl-2-[(2-methylbenzyl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one chemical structure, C20H19N3O2S, CAS 887208-30-2

8-Methoxy-3-methyl-2-[(2-methylbenzyl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

CAS 887208-30-2C₂₀H₁₉N₃O₂S

3-Allyl-2-((3-(trifluoromethyl)benzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C21H16F3N3OS, CAS 887217-85-8

3-Allyl-2-((3-(trifluoromethyl)benzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 887217-85-8C₂₁H₁₆F₃N₃OS

2-Benzylsulfanyl-3-ethyl-5H-pyrimido[5,4-b]indol-4-one chemical structure, C19H17N3OS, CAS 888462-36-0

2-Benzylsulfanyl-3-ethyl-5H-pyrimido[5,4-b]indol-4-one

CAS 888462-36-0C₁₉H₁₇N₃OS

3-Ethyl-2-[(3-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one chemical structure, C19H16FN3OS, CAS 888430-57-7

3-Ethyl-2-[(3-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one

CAS 888430-57-7C₁₉H₁₆FN₃OS

3-Ethyl-2-[(2-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one chemical structure, C19H16FN3OS, CAS 888431-43-4

3-Ethyl-2-[(2-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one

CAS 888431-43-4C₁₉H₁₆FN₃OS

2-Benzylsulfanyl-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one chemical structure, C20H19N3O2S, CAS 888440-54-8

2-Benzylsulfanyl-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one

CAS 888440-54-8C₂₀H₁₉N₃O₂S

2-[(4-Fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one chemical structure, C20H18FN3O2S, CAS 888440-70-8

2-[(4-Fluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one

CAS 888440-70-8C₂₀H₁₈FN₃O₂S

3-(2-Methoxyethyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one chemical structure, C21H21N3O2S, CAS 888440-85-5

3-(2-Methoxyethyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one

CAS 888440-85-5C₂₁H₂₁N₃O₂S

3-(2-Methoxyethyl)-2-[(3-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one chemical structure, C21H21N3O2S, CAS 888440-93-5

3-(2-Methoxyethyl)-2-[(3-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one

CAS 888440-93-5C₂₁H₂₁N₃O₂S

2-[(2,5-Dimethylphenyl)methylsulfanyl]-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one chemical structure, C22H23N3O2S, CAS 888441-01-8

2-[(2,5-Dimethylphenyl)methylsulfanyl]-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one

CAS 888441-01-8C₂₂H₂₃N₃O₂S

3-(2-Methoxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one chemical structure, C21H21N3O2S, CAS 888441-09-6

3-(2-Methoxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one

CAS 888441-09-6C₂₁H₂₁N₃O₂S