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Murcko scaffold

Ring system with 4 rings and 27 atoms

38 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 27
Chemicals: 38
With full pages: 8

Scaffold SMILES

O=C(Nc1ccccc1)c1cnc(Nc2cc(N3CCNCC3)ncn2)s1

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(Nc1ccccc1)c1cnc(Nc2cc(N3CCNCC3)ncn2)s1

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 38 of 38 chemicals

Dasatinib chemical structure, C22H26ClN7O2S, CAS 302962-49-8

CAS 302962-49-8C₂₂H₂₆ClN₇O₂S

Dasatinib hydrochloride chemical structure, C22H27Cl2N7O2S, CAS 854001-07-3

Dasatinib hydrochloride

CAS 854001-07-3C₂₂H₂₇Cl₂N₇O₂S

Dasatinib monohydrate chemical structure, C22H28ClN7O3S, CAS 863127-77-9

Dasatinib monohydrate

CAS 863127-77-9C₂₂H₂₈ClN₇O₃S

N-Deshydroxyethyl dasatinib chemical structure, C20H22ClN7OS, CAS 910297-51-7

N-Deshydroxyethyl dasatinib

CAS 910297-51-7C₂₀H₂₂ClN₇OS

2-(4-(6-((5-((2-Chloro-6-methyl-phenyl)carbamoyl)thiazol-2-yl)amino)-2-methyl-pyrimidin-4-yl)piperazin-1-yl)acetic acid chemical structure, C22H24ClN7O3S, CAS 910297-53-9

2-(4-(6-((5-((2-Chloro-6-methyl-phenyl)carbamoyl)thiazol-2-yl)amino)-2-methyl-pyrimidin-4-yl)piperazin-1-yl)acetic acid

CAS 910297-53-9C₂₂H₂₄ClN₇O₃S

5-Thiazolecarboxamide, N-(2-chloro-4-hydroxy-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)- chemical structure, C22H26ClN7O3S, CAS 910297-57-3

5-Thiazolecarboxamide, N-(2-chloro-4-hydroxy-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)-

CAS 910297-57-3C₂₂H₂₆ClN₇O₃S

Hydroxymethyl dasatinib chemical structure, C22H26ClN7O3S, CAS 910297-58-4

Hydroxymethyl dasatinib

CAS 910297-58-4C₂₂H₂₆ClN₇O₃S

N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-4-oxidopiperazin-4-ium-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide chemical structure, C22H26ClN7O3S, CAS 910297-52-8

N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-4-oxidopiperazin-4-ium-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

CAS 910297-52-8C₂₂H₂₆ClN₇O₃S

Fluorine F 18 dasatinib chemical structure, C22H25ClFN7OS, CAS 957218-03-0

Fluorine F 18 dasatinib

CAS 957218-03-0C₂₂H₂₅ClFN₇OS

Fluoro-dasatinib chemical structure, C22H25ClFN7OS, CAS 957218-02-9

Fluoro-dasatinib

CAS 957218-02-9C₂₂H₂₅ClFN₇OS

Dasatinib-d8 chemical structure, C22H26ClN7O2S, CAS 1132093-70-9

CAS 1132093-70-9C₂₂H₂₆ClN₇O₂S

Dasatinib-d4 chemical structure, C22H26ClN7O2S, CAS 1160297-08-4

CAS 1160297-08-4C₂₂H₂₆ClN₇O₂S

2-[[6-[4-(2-Hydroxyethyl)-1-piperaziny]-2-methyl-4-pyrimidinyl]amino]-N-(2-methylphenyl)-5-thiazolecarboxamide chemical structure, C22H27N7O2S, CAS 1184919-23-0

2-[[6-[4-(2-Hydroxyethyl)-1-piperaziny]-2-methyl-4-pyrimidinyl]amino]-N-(2-methylphenyl)-5-thiazolecarboxamide

CAS 1184919-23-0C₂₂H₂₇N₇O₂S

Dasatinib-d8 N-oxide chemical structure, C22H26ClN7O3S, CAS 1189988-36-0

Dasatinib-d8 N-oxide

CAS 1189988-36-0C₂₂H₂₆ClN₇O₃S

N-Boc-N-deshydroxyethyl Dasatinib chemical structure, C25H30ClN7O3S, CAS 1159977-13-5

N-Boc-N-deshydroxyethyl Dasatinib

CAS 1159977-13-5C₂₅H₃₀ClN₇O₃S

N-(2-Hydroxy-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide chemical structure, C22H27N7O3S, CAS 1159977-25-9

N-(2-Hydroxy-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide

CAS 1159977-25-9C₂₂H₂₇N₇O₃S

N-Deshydroxyethyl dasatinib-d8 chemical structure, C20H22ClN7OS, CAS 1189998-96-6

N-Deshydroxyethyl dasatinib-d8

CAS 1189998-96-6C₂₀H₂₂ClN₇OS

N-Boc-N-deshydroxyethyl Dasatinib-d8 chemical structure, C25H30ClN7O3S, CAS 1263379-04-9

N-Boc-N-deshydroxyethyl Dasatinib-d8

CAS 1263379-04-9C₂₅H₃₀ClN₇O₃S

Dasatinib carboxylic acid ethyl ester chemical structure, C24H28ClN7O3S, CAS 910297-62-0

Dasatinib carboxylic acid ethyl ester

CAS 910297-62-0C₂₄H₂₈ClN₇O₃S

2-(4-((6-((5-((2-Chloro-6-methylphenyl)carbamoyl)thiazol-2-yl)amino)-2-methylpyrimidin-4-yl)piperazin-1-yl)ethylacetate chemical structure, C24H28ClN7O3S, CAS 1245157-85-0

2-(4-((6-((5-((2-Chloro-6-methylphenyl)carbamoyl)thiazol-2-yl)amino)-2-methylpyrimidin-4-yl)piperazin-1-yl)ethylacetate

CAS 1245157-85-0C₂₄H₂₈ClN₇O₃S

2-[[6-[4-(3-Aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide chemical structure, C23H29ClN8OS, CAS 1430089-58-9

2-[[6-[4-(3-Aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

CAS 1430089-58-9C₂₃H₂₉ClN₈OS

3-Chloro dasatinib chemical structure, C22H25Cl2N7O2S, CAS 2468737-76-8

3-Chloro dasatinib

CAS 2468737-76-8C₂₂H₂₅Cl₂N₇O₂S

4-Chloro dasatinib chemical structure, C22H25Cl2N7O2S, CAS 2468737-89-3

4-Chloro dasatinib

CAS 2468737-89-3C₂₂H₂₅Cl₂N₇O₂S

5-Chloro dasatinib chemical structure, C22H25Cl2N7O2S, CAS 2468737-75-7

5-Chloro dasatinib

CAS 2468737-75-7C₂₂H₂₅Cl₂N₇O₂S