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Murcko scaffold

Ring system with 3 rings and 27 atoms

13 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 27
Chemicals: 13
With full pages: 3

Scaffold SMILES

O=C(CSc1nnc(CNC(=O)c2ccccc2)[nH]1)NCc1ccccc1

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=C(CSc1nnc(CNC(=O)c2ccccc2)[nH]1)NCc1ccccc1

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 13 of 13 chemicals

N-[(5-{[2-(Benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dichlorobenzamide chemical structure, C20H19Cl2N5O2S, CAS 708252-69-1

N-[(5-{[2-(Benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dichlorobenzamide

CAS 708252-69-1C₂₀H₁₉Cl₂N₅O₂S

N-[[5-[2-(Benzylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide chemical structure, C23H25N5O2S, CAS 701931-98-8

N-[[5-[2-(Benzylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide

CAS 701931-98-8C₂₃H₂₅N₅O₂S

N-[[5-[2-(Benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide chemical structure, C20H20FN5O2S, CAS 701941-23-3

N-[[5-[2-(Benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide

CAS 701941-23-3C₂₀H₂₀FN₅O₂S

N-[[5-[2-(Benzylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dichlorobenzamide chemical structure, C22H21Cl2N5O2S, CAS 767324-00-5

N-[[5-[2-(Benzylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dichlorobenzamide

CAS 767324-00-5C₂₂H₂₁Cl₂N₅O₂S

N-[[5-[2-(Benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide chemical structure, C21H23N5O2S, CAS 591763-25-6

N-[[5-[2-(Benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide

CAS 591763-25-6C₂₁H₂₃N₅O₂S

N-{1-[4-Ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide chemical structure, C25H31N5O2S, CAS 692773-62-9

N-{1-[4-Ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide

CAS 692773-62-9C₂₅H₃₁N₅O₂S

N-{1-[4-Ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide chemical structure, C26H33N5O2S, CAS 693266-30-7

N-{1-[4-Ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methylbenzamide

CAS 693266-30-7C₂₆H₃₃N₅O₂S

N-{1-[4-Ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide chemical structure, C23H27N5O2S, CAS 693809-15-3

N-{1-[4-Ethyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide

CAS 693809-15-3C₂₃H₂₇N₅O₂S

4-Methyl-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide chemical structure, C22H25N5O2S, CAS 694473-90-0

4-Methyl-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

CAS 694473-90-0C₂₂H₂₅N₅O₂S

N-[1-[5-[2-(Benzylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methylpropyl]-3-methylbenzamide chemical structure, C26H31N5O2S, CAS 701276-34-8

N-[1-[5-[2-(Benzylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methylpropyl]-3-methylbenzamide

CAS 701276-34-8C₂₆H₃₁N₅O₂S

2-Fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide chemical structure, C23H24FN5O2S, CAS 708246-09-7

2-Fluoro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

CAS 708246-09-7C₂₃H₂₄FN₅O₂S

N-[[5-[2-(Benzylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide chemical structure, C23H25N5O3S, CAS 708251-44-9

N-[[5-[2-(Benzylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide

CAS 708251-44-9C₂₃H₂₅N₅O₃S

3,4-Dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide chemical structure, C25H29N5O4S, CAS 708991-27-9

3,4-Dimethoxy-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

CAS 708991-27-9C₂₅H₂₉N₅O₄S