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Murcko scaffold

Ring system with 4 rings and 20 atoms

93 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 20
Chemicals: 93
With full pages: 9

Scaffold SMILES

O=c1c2[nH]c3ccccc3c2ncn1-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 O=c1c2[nH]c3ccccc3c2ncn1-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 93 chemicals

2-Ethylsulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one chemical structure, C18H15N3OS, CAS 536703-98-7

2-Ethylsulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one

CAS 536703-98-7C₁₈H₁₅N₃OS

2-(Isopropylthio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C19H17N3OS, CAS 536704-00-4

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

CAS 536704-00-4C₁₉H₁₇N₃OS

2-(Methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C18H15N3OS, CAS 536704-92-4

2-(Methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 536704-92-4C₁₈H₁₅N₃OS

2-Ethylsulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one chemical structure, C19H17N3OS, CAS 536704-93-5

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

CAS 536704-93-5C₁₉H₁₇N₃OS

2-(Isopropylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C20H19N3OS, CAS 536704-95-7

2-(Isopropylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 536704-95-7C₂₀H₁₉N₃OS

3-(4-Methoxyphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one chemical structure, C18H15N3O2S, CAS 536707-74-1

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

CAS 536707-74-1C₁₈H₁₅N₃O₂S

3-(4-Fluorophenyl)-2-(methylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C17H12FN3OS, CAS 536711-65-6

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

CAS 536711-65-6C₁₇H₁₂FN₃OS

2-Ethylsulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one chemical structure, C18H14FN3OS, CAS 536711-68-9

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

CAS 536711-68-9C₁₈H₁₄FN₃OS

3-(4-Chlorophenyl)-2-(methylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C17H12ClN3OS, CAS 536715-26-1

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

CAS 536715-26-1C₁₇H₁₂ClN₃OS

2-[(4-Oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide chemical structure, C18H14N4O2S, CAS 536703-83-0

2-[(4-Oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide

CAS 536703-83-0C₁₈H₁₄N₄O₂S

3-Phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C19H17N3OS, CAS 536703-99-8

3-Phenyl-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 536703-99-8C₁₉H₁₇N₃OS

2-(Butylthio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C20H19N3OS, CAS 536704-01-5

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

CAS 536704-01-5C₂₀H₁₉N₃OS

2-(Propylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C20H19N3OS, CAS 536704-94-6

2-(Propylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 536704-94-6C₂₀H₁₉N₃OS

2-(Butylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C21H21N3OS, CAS 536704-96-8

2-(Butylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 536704-96-8C₂₁H₂₁N₃OS

Ethyl 2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate chemical structure, C21H19N3O3S, CAS 536705-12-1

Ethyl 2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate

CAS 536705-12-1C₂₁H₁₉N₃O₃S

3-(3,5-Dimethylphenyl)-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C21H21N3OS, CAS 536705-88-1

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

CAS 536705-88-1C₂₁H₂₁N₃OS

Ethyl 2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetate chemical structure, C22H21N3O3S, CAS 536706-06-6

Ethyl 2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetate

CAS 536706-06-6C₂₂H₂₁N₃O₃S

3-(3-Methoxyphenyl)-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C20H19N3O2S, CAS 536706-82-8

3-(3-Methoxyphenyl)-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 536706-82-8C₂₀H₁₉N₃O₂S

2-(Isopropylthio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C20H19N3O2S, CAS 536706-83-9

2-(Isopropylthio)-3-(3-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 536706-83-9C₂₀H₁₉N₃O₂S

2-Butylsulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one chemical structure, C21H21N3O2S, CAS 536706-84-0

2-Butylsulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one

CAS 536706-84-0C₂₁H₂₁N₃O₂S

Ethyl 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate chemical structure, C21H19N3O4S, CAS 536707-00-3

Ethyl 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate

CAS 536707-00-3C₂₁H₁₉N₃O₄S

2-Ethylsulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one chemical structure, C19H17N3O2S, CAS 536707-75-2

2-Ethylsulfanyl-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one

CAS 536707-75-2C₁₉H₁₇N₃O₂S

3-(4-Methoxyphenyl)-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C20H19N3O2S, CAS 536707-76-3

3-(4-Methoxyphenyl)-2-(propylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 536707-76-3C₂₀H₁₉N₃O₂S

2-(Isopropylthio)-3-(4-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one chemical structure, C20H19N3O2S, CAS 536707-77-4

2-(Isopropylthio)-3-(4-methoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one

CAS 536707-77-4C₂₀H₁₉N₃O₂S