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Murcko scaffold

Ring system with 3 rings and 20 atoms

28 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 20
Chemicals: 28
With full pages: 5

Scaffold SMILES

c1ccc(N2CCN(CCC3CCCCC3)CC2)cc1

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 c1ccc(N2CCN(CCC3CCCCC3)CC2)cc1

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 28 of 28 chemicals

4-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-cyclohexylamine chemical structure, C18H29N3, CAS 189153-13-7

4-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-cyclohexylamine

CAS 189153-13-7C₁₈H₂₉N₃

Cariprazine chemical structure, C21H32Cl2N4O, CAS 839712-12-8

CAS 839712-12-8C₂₁H₃₂Cl₂N₄O

Didesmethyl cariprazine chemical structure, C19H28Cl2N4O, CAS 839712-25-3

Didesmethyl cariprazine

CAS 839712-25-3C₁₉H₂₈Cl₂N₄O

Desmethyl cariprazine chemical structure, C20H30Cl2N4O, CAS 839712-15-1

Desmethyl cariprazine

CAS 839712-15-1C₂₀H₃₀Cl₂N₄O

Trans-1-{4-[2-[4-(2,3-dichlorophenyl)-piperazin-1-yl]-ethyl]-cyclohexyl}-3-ethyl-urea chemical structure, C21H32Cl2N4O, CAS 839712-14-0

Trans-1-{4-[2-[4-(2,3-dichlorophenyl)-piperazin-1-yl]-ethyl]-cyclohexyl}-3-ethyl-urea

CAS 839712-14-0C₂₁H₃₂Cl₂N₄O

Cariprazine hydrochloride chemical structure, C21H33Cl3N4O, CAS 1083076-69-0

Cariprazine hydrochloride

CAS 1083076-69-0C₂₁H₃₃Cl₃N₄O

Hydroxy cariprazine chemical structure, C21H32Cl2N4O2, CAS 1084891-95-1

Hydroxy cariprazine

CAS 1084891-95-1C₂₁H₃₂Cl₂N₄O₂

Cariprazine N-oxide chemical structure, C21H32Cl2N4O2, CAS 1084891-96-2

Cariprazine N-oxide

CAS 1084891-96-2C₂₁H₃₂Cl₂N₄O₂

trans-4-(2-(4-(2,3-Dichlorophenyl)piperazin-1-yl)ethyl)cyclohexan-1-amine chemical structure, C18H27Cl2N3, CAS 791778-53-5

trans-4-(2-(4-(2,3-Dichlorophenyl)piperazin-1-yl)ethyl)cyclohexan-1-amine

CAS 791778-53-5C₁₈H₂₇Cl₂N₃

Cyclohexanamine, 4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl]ethyl]-(hydrochloride, hydrate)(1:2:1), trans- chemical structure, C18H31Cl4N3O, CAS 1231968-76-5

Cyclohexanamine, 4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl]ethyl]-(hydrochloride, hydrate)(1:2:1), trans-

CAS 1231968-76-5C₁₈H₃₁Cl₄N₃O

Cariprazine impurity 1(DI hcl salt form) chemical structure, C18H29Cl4N3, CAS 506428-04-2

Cariprazine impurity 1(DI hcl salt form)

CAS 506428-04-2C₁₈H₂₉Cl₄N₃

trans-N-tert-Butoxycarbonyl-4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexanamine chemical structure, C23H35Cl2N3O2, CAS 506427-91-4

trans-N-tert-Butoxycarbonyl-4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexanamine

CAS 506427-91-4C₂₃H₃₅Cl₂N₃O₂

Propanamide, N-(trans-4-(2-(4-(3-cyanophenyl)-1-piperazinyl)ethyl)cyclohexyl)-3-methoxy- chemical structure, C23H34N4O2, CAS 1000036-77-0

Propanamide, N-(trans-4-(2-(4-(3-cyanophenyl)-1-piperazinyl)ethyl)cyclohexyl)-3-methoxy-

CAS 1000036-77-0C₂₃H₃₄N₄O₂

Didesmethyl cariprazine hydrochloride chemical structure, C19H29Cl3N4O, CAS 1231947-92-4

Didesmethyl cariprazine hydrochloride

CAS 1231947-92-4C₁₉H₂₉Cl₃N₄O

N-Desmethyl cariprazine chemical structure, C20H31Cl3N4O, CAS 1231947-91-3

N-Desmethyl cariprazine

CAS 1231947-91-3C₂₀H₃₁Cl₃N₄O

trans-4-{2-[4-(2,3-Dichlorophenyl)-piperazin-1-yl]-ethyl}-cyclohexyl-amine trihydrochloride chemical structure, C18H30Cl5N3, CAS 839712-13-9

trans-4-{2-[4-(2,3-Dichlorophenyl)-piperazin-1-yl]-ethyl}-cyclohexyl-amine trihydrochloride

CAS 839712-13-9C₁₈H₃₀Cl₅N₃

N-[trans-4-[2-[4-(2,3-Dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]acetamide chemical structure, C20H29Cl2N3O, CAS 1092822-52-0

N-[trans-4-[2-[4-(2,3-Dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]acetamide

CAS 1092822-52-0C₂₀H₂₉Cl₂N₃O

Cariprazine impurity 45 chemical structure, C21H32Cl2N4O, CAS 1378235-50-7

Cariprazine impurity 45

CAS 1378235-50-7C₂₁H₃₂Cl₂N₄O

Urea, N'-[trans-4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]ethyl]cyclohexyl]-N,N-dimethy chemical structure, C21H32Cl2N4O, CAS 1308278-50-3

Urea, N'-[trans-4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]ethyl]cyclohexyl]-N,N-dimethy

CAS 1308278-50-3C₂₁H₃₂Cl₂N₄O

3-[4-[2,2-Dideuterio-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-bis(trideuteriomethyl)urea chemical structure, C21H32Cl2N4O, CAS 1308278-69-4

3-[4-[2,2-Dideuterio-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-bis(trideuteriomethyl)urea

CAS 1308278-69-4C₂₁H₃₂Cl₂N₄O

Cariprazine-d6 chemical structure, C21H32Cl2N4O, CAS 1308278-67-2

CAS 1308278-67-2C₂₁H₃₂Cl₂N₄O

Htf3FT6Y8C chemical structure, C20H29Cl2N3O2, CAS 1231947-89-9

CAS 1231947-89-9C₂₀H₂₉Cl₂N₃O₂

trans-N-[4-[2-[4-(2,3-Dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]carbamic Acid Isopropyl Ester chemical structure, C22H33Cl2N3O2, CAS 1231947-90-2

trans-N-[4-[2-[4-(2,3-Dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]carbamic Acid Isopropyl Ester

CAS 1231947-90-2C₂₂H₃₃Cl₂N₃O₂

Cariprazine impurity 29 chemical structure, C21H31Cl2N3O2, CAS 1957145-61-7

Cariprazine impurity 29

CAS 1957145-61-7C₂₁H₃₁Cl₂N₃O₂