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Murcko scaffold

Ring system with 3 rings and 19 atoms

80 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 19
Chemicals: 80
With full pages: 10

Scaffold SMILES

O=c1n(-c2ccccc2)cnn1Cc1ccccc1

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=c1n(-c2ccccc2)cnn1Cc1ccccc1

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 80 chemicals

2-(4-Chlorobenzyl)-4-(4-isopropylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C19H20ClN3O, CAS 860785-29-1

2-(4-Chlorobenzyl)-4-(4-isopropylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 860785-29-1C₁₉H₂₀ClN₃O

4-(4-Isopropylphenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C20H20F3N3O, CAS 860785-32-6

4-(4-Isopropylphenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 860785-32-6C₂₀H₂₀F₃N₃O

4-(4-Isopropylphenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C19H20N4O3, CAS 860785-33-7

4-(4-Isopropylphenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 860785-33-7C₁₉H₂₀N₄O₃

4-(4-Isopropylphenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C20H23N3O2, CAS 860785-35-9

4-(4-Isopropylphenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 860785-35-9C₂₀H₂₃N₃O₂

2-Benzyl-5-methyl-4-phenyl-1,2,4-triazol-3-one chemical structure, C16H15N3O, CAS 860785-44-0

2-Benzyl-5-methyl-4-phenyl-1,2,4-triazol-3-one

CAS 860785-44-0C₁₆H₁₅N₃O

2-(4-Chlorobenzyl)-4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C18H18ClN3O, CAS 343373-34-2

2-(4-Chlorobenzyl)-4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 343373-34-2C₁₈H₁₈ClN₃O

2-(4-Methylbenzyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C16H15N3O, CAS 343373-35-3

2-(4-Methylbenzyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 343373-35-3C₁₆H₁₅N₃O

4-(4-Bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C18H18BrN3O, CAS 343373-36-4

4-(4-Bromophenyl)-2-(mesitylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 343373-36-4C₁₈H₁₈BrN₃O

4-(4-Bromophenyl)-2-(3-methoxybenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C16H14BrN3O2, CAS 343373-38-6

4-(4-Bromophenyl)-2-(3-methoxybenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 343373-38-6C₁₆H₁₄BrN₃O₂

2-(3-Fluorobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C16H11F4N3O, CAS 343373-39-7

2-(3-Fluorobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 343373-39-7C₁₆H₁₁F₄N₃O

4-[4-(Trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C17H11F6N3O2, CAS 343373-52-4

4-[4-(Trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 343373-52-4C₁₇H₁₁F₆N₃O₂

4-(3-Fluorophenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C17H16FN3O2, CAS 860650-62-0

4-(3-Fluorophenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 860650-62-0C₁₇H₁₆FN₃O₂

2-(4-Chlorobenzyl)-4-(3-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C16H13ClFN3O, CAS 860650-64-2

2-(4-Chlorobenzyl)-4-(3-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 860650-64-2C₁₆H₁₃ClFN₃O

2-(4-Chlorobenzyl)-5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C17H16ClN3O, CAS 860651-03-2

2-(4-Chlorobenzyl)-5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 860651-03-2C₁₇H₁₆ClN₃O

2-Benzyl-4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-one chemical structure, C16H14FN3O, CAS 860651-04-3

2-Benzyl-4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-one

CAS 860651-04-3C₁₆H₁₄FN₃O

2-(4-Chlorobenzyl)-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C16H13ClFN3O, CAS 860651-07-6

2-(4-Chlorobenzyl)-4-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 860651-07-6C₁₆H₁₃ClFN₃O

4-(4-Fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C17H13F4N3O, CAS 860651-08-7

4-(4-Fluorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 860651-08-7C₁₇H₁₃F₄N₃O

4-(4-Fluorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C16H13FN4O3, CAS 860651-09-8

4-(4-Fluorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 860651-09-8C₁₆H₁₃FN₄O₃

4-(4-Fluorophenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C17H16FN3O2, CAS 860784-99-2

4-(4-Fluorophenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 860784-99-2C₁₇H₁₆FN₃O₂

2-Benzyl-4-(2,6-dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C18H19N3O, CAS 860789-30-6

2-Benzyl-4-(2,6-dimethylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 860789-30-6C₁₈H₁₉N₃O

4-(4-Chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C17H13ClF3N3O, CAS 860786-62-5

4-(4-Chlorophenyl)-5-methyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 860786-62-5C₁₇H₁₃ClF₃N₃O

4-(2,4-Dimethoxyphenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C19H21N3O4, CAS 861206-45-3

4-(2,4-Dimethoxyphenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 861206-45-3C₁₉H₂₁N₃O₄

5-Methyl-2-[3-(trifluoromethyl)benzyl]-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one chemical structure, C18H13F6N3O, CAS 861206-74-8

5-Methyl-2-[3-(trifluoromethyl)benzyl]-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

CAS 861206-74-8C₁₈H₁₃F₆N₃O

2-[(4-Chlorophenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one chemical structure, C17H16ClN3O2, CAS 861206-11-3

2-[(4-Chlorophenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one

CAS 861206-11-3C₁₇H₁₆ClN₃O₂