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Murcko scaffold

Ring system with 3 rings and 25 atoms

20 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 25
Chemicals: 20
With full pages: 2

Scaffold SMILES

O=C(CSc1nnc(CNC(=O)c2ccccc2)[nH]1)Nc1nccs1

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)Nc1nccs1

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 20 of 20 chemicals

4-Methyl-N-[(4-methyl-5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide chemical structure, C17H18N6O2S2, CAS 665006-89-3

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

CAS 665006-89-3C₁₇H₁₈N₆O₂S₂

N-[[4-Ethyl-5-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide chemical structure, C19H22N6O2S2, CAS 591760-92-8

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

CAS 591760-92-8C₁₉H₂₂N₆O₂S₂

N-[[4-Ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide chemical structure, C17H17FN6O2S2, CAS 701946-01-2

N-[[4-Ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide

CAS 701946-01-2C₁₇H₁₇FN₆O₂S₂

N-[[4-Ethyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide chemical structure, C19H22N6O2S2, CAS 708245-68-5

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

CAS 708245-68-5C₁₉H₂₂N₆O₂S₂

4-Methoxy-N-[[4-methyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide chemical structure, C17H18N6O3S2, CAS 708289-65-0

4-Methoxy-N-[[4-methyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

CAS 708289-65-0C₁₇H₁₈N₆O₃S₂

2-Bromo-N-[[4-methyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide chemical structure, C16H15BrN6O2S2, CAS 767325-44-0

2-Bromo-N-[[4-methyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

CAS 767325-44-0C₁₆H₁₅BrN₆O₂S₂

4-Methyl-N-[2-methyl-1-[4-methyl-5-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide chemical structure, C21H26N6O2S2, CAS 532430-30-1

4-Methyl-N-[2-methyl-1-[4-methyl-5-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide

CAS 532430-30-1C₂₁H₂₆N₆O₂S₂

N-[2-Methyl-1-[4-methyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide chemical structure, C19H22N6O2S2, CAS 693233-41-9

N-[2-Methyl-1-[4-methyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide

CAS 693233-41-9C₁₉H₂₂N₆O₂S₂

N-[1-(4-Ethyl-5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide chemical structure, C18H20N6O2S2, CAS 693264-84-5

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

CAS 693264-84-5C₁₈H₂₀N₆O₂S₂

N-[1-[4-Ethyl-5-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-4-methylbenzamide chemical structure, C20H24N6O2S2, CAS 666713-03-7

N-[1-[4-Ethyl-5-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-4-methylbenzamide

CAS 666713-03-7C₂₀H₂₄N₆O₂S₂

4-Chloro-N-[1-(4-ethyl-5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide chemical structure, C18H19ClN6O2S2, CAS 665018-41-7

4-Chloro-N-[1-(4-ethyl-5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide

CAS 665018-41-7C₁₈H₁₉ClN₆O₂S₂

2-Chloro-N-[1-[4-ethyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide chemical structure, C21H25ClN6O2S2, CAS 694461-14-8

2-Chloro-N-[1-[4-ethyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide

CAS 694461-14-8C₂₁H₂₅ClN₆O₂S₂

4-Chloro-N-{1-[4-methyl-5-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide chemical structure, C18H19ClN6O2S2, CAS 694468-59-2

4-Chloro-N-{1-[4-methyl-5-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide

CAS 694468-59-2C₁₈H₁₉ClN₆O₂S₂

N-{1-[5-({2-[(4-Methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide chemical structure, C20H22N6O2S2, CAS 792941-54-9

N-{1-[5-({2-[(4-Methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide

CAS 792941-54-9C₂₀H₂₂N₆O₂S₂

3,4-Dichloro-N-[[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide chemical structure, C17H16Cl2N6O2S2, CAS 708279-19-0

3,4-Dichloro-N-[[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

CAS 708279-19-0C₁₇H₁₆Cl₂N₆O₂S₂

3,4-Dimethoxy-N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide chemical structure, C21H24N6O4S2, CAS 708993-81-1

3,4-Dimethoxy-N-[[5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

CAS 708993-81-1C₂₁H₂₄N₆O₄S₂

2-Fluoro-N-{1-[5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide chemical structure, C19H19FN6O2S2, CAS 767325-45-1

2-Fluoro-N-{1-[5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide

CAS 767325-45-1C₁₉H₁₉FN₆O₂S₂

N-{1-[4-Ethyl-5-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-3-(methylsulfanyl)propyl}-4-methoxybenzamide chemical structure, C22H28N6O3S3, CAS 792943-44-3

N-{1-[4-Ethyl-5-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-3-(methylsulfanyl)propyl}-4-methoxybenzamide

CAS 792943-44-3C₂₂H₂₈N₆O₃S₃

4-Methoxy-N-{1-[4-methyl-5-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide chemical structure, C19H22N6O3S2, CAS 767325-41-7

4-Methoxy-N-{1-[4-methyl-5-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide

CAS 767325-41-7C₁₉H₂₂N₆O₃S₂

2-Methyl-N-{1-[4-methyl-5-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide chemical structure, C19H22N6O2S2, CAS 5415-97-4

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

CAS 5415-97-4C₁₉H₂₂N₆O₂S₂