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Murcko scaffold

Ring system with 4 rings and 18 atoms

41 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 18
Chemicals: 41
With full pages: 3

Scaffold SMILES

[BH2-]1n2cccc2C(c2ccccc2)=C2C=CC=[N+]12

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 [BH2-]1n2cccc2C(c2ccccc2)=C2C=CC=[N+]12

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 41 of 41 chemicals

(T-4)-[3-BRomo-5-[(4-bromo-3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN)phenylmethyl]-2,4-dimethyl-1H-pyrrolato-kappaN]difluoroboron chemical structure, C19H17BBr2F2N2, CAS 910823-84-6

(T-4)-[3-BRomo-5-[(4-bromo-3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN)phenylmethyl]-2,4-dimethyl-1H-pyrrolato-kappaN]difluoroboron

CAS 910823-84-6C₁₉H₁₇BBr₂F₂N₂

8-(4-Ethynylphenyl)-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene chemical structure, C21H19BF2N2, CAS 628729-80-6

8-(4-Ethynylphenyl)-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene

CAS 628729-80-6C₂₁H₁₉BF₂N₂

4,4-Difluoro-1,3,5,7-tetramethyl-8-phenyl-4-bora-3a,4a-diaza-s-indacene chemical structure, C19H19BF2N2, CAS 194235-40-0

4,4-Difluoro-1,3,5,7-tetramethyl-8-phenyl-4-bora-3a,4a-diaza-s-indacene

CAS 194235-40-0C₁₉H₁₉BF₂N₂

[1-[(3,5-Dimethyl-1H-pyrrol-2-yl)(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-4-iodobenzene](difluoroborane) chemical structure, C19H18BF2IN2, CAS 250734-47-5

[1-[(3,5-Dimethyl-1H-pyrrol-2-yl)(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-4-iodobenzene](difluoroborane)

CAS 250734-47-5C₁₉H₁₈BF₂IN₂

BODIPY-X-Alkyne chemical structure, C26H29BF2N2O, CAS 1173281-82-7

BODIPY-X-Alkyne

CAS 1173281-82-7C₂₆H₂₉BF₂N₂O

8-(4-Bromophenyl)-4,4-difluoro-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene chemical structure, C19H18BBrF2N2, CAS 850534-66-6

8-(4-Bromophenyl)-4,4-difluoro-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene

CAS 850534-66-6C₁₉H₁₈BBrF₂N₂

(T-4)-[2-[(3,5-Dimethyl-2H-pyrrol-2-ylidene-kappaN)(4-nitrophenyl)methyl]-3,5-dimethyl-1H-pyrrolato-kappaN]difluoroboron chemical structure, C19H18BF2N3O2, CAS 321895-92-5

(T-4)-[2-[(3,5-Dimethyl-2H-pyrrol-2-ylidene-kappaN)(4-nitrophenyl)methyl]-3,5-dimethyl-1H-pyrrolato-kappaN]difluoroboron

CAS 321895-92-5C₁₉H₁₈BF₂N₃O₂

5,5-Difluoro-8-formyl-1,3,7,9-tetramethyl-10-phenyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide chemical structure, C20H19BF2N2O, CAS 1189166-58-2

5,5-Difluoro-8-formyl-1,3,7,9-tetramethyl-10-phenyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

CAS 1189166-58-2C₂₀H₁₉BF₂N₂O

Bodipy isothiocyanate chemical structure, C20H18BF2N3S, CAS 1349031-04-4

Bodipy isothiocyanate

CAS 1349031-04-4C₂₀H₁₈BF₂N₃S

3,7-Dibromo-5,5-difluoro-10-(4-methoxyphenyl)-5H-dipyrrolo[1,2-C:2',1'-F][1,3,2]diazaborinin-4-ium-5-uide chemical structure, C16H11BBr2F2N2O, CAS 1228186-20-6

3,7-Dibromo-5,5-difluoro-10-(4-methoxyphenyl)-5H-dipyrrolo[1,2-C:2',1'-F][1,3,2]diazaborinin-4-ium-5-uide

CAS 1228186-20-6C₁₆H₁₁BBr₂F₂N₂O

5,11-Diethyl-2,2-difluoro-8-(4-hydroxyphenyl)-4,6,10,12-tetramethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0,3,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide chemical structure, C23H27BF2N2O, CAS 1230026-26-2

5,11-Diethyl-2,2-difluoro-8-(4-hydroxyphenyl)-4,6,10,12-tetramethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0,3,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

CAS 1230026-26-2C₂₃H₂₇BF₂N₂O

8-(4-Anilino) bodipy chemical structure, C19H20BF2N3, CAS 321895-93-6

8-(4-Anilino) bodipy

CAS 321895-93-6C₁₉H₂₀BF₂N₃

4-Phenyl-bodipy chemical structure, C15H11BF2N2, CAS 180156-50-7

4-Phenyl-bodipy

CAS 180156-50-7C₁₅H₁₁BF₂N₂

5,5-Difluoro-10-(4-(18-((oxido(2-(trimethylammonio)ethoxy)phosphoryl)oxy)octadecyl)phenyl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide chemical structure, C38H59BF2N3O4P, CAS 1250963-36-0

5,5-Difluoro-10-(4-(18-((oxido(2-(trimethylammonio)ethoxy)phosphoryl)oxy)octadecyl)phenyl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

CAS 1250963-36-0C₃₈H₅₉BF₂N₃O₄P

5,5-Difluoro-2,8-diiodo-1,3,7,9-tetramethyl-10-phenyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide chemical structure, C19H17BF2I2N2, CAS 1083009-44-2

5,5-Difluoro-2,8-diiodo-1,3,7,9-tetramethyl-10-phenyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

CAS 1083009-44-2C₁₉H₁₇BF₂I₂N₂

10-(3,5-Di-tert-butylphenyl)-5,5-difluoro-2,8-diiodo-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide chemical structure, C27H33BF2I2N2, CAS 1452398-21-8

10-(3,5-Di-tert-butylphenyl)-5,5-difluoro-2,8-diiodo-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

CAS 1452398-21-8C₂₇H₃₃BF₂I₂N₂

8-(4-Bromophenyl)-2,2-difluoro-5,11-diiodo-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene chemical structure, C19H16BBrF2I2N2, CAS 1452398-22-9

8-(4-Bromophenyl)-2,2-difluoro-5,11-diiodo-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene

CAS 1452398-22-9C₁₉H₁₆BBrF₂I₂N₂

4-(2,2-Difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)benzoic acid chemical structure, C20H19BF2N2O2, CAS 945921-51-7

4-(2,2-Difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)benzoic acid

CAS 945921-51-7C₂₀H₁₉BF₂N₂O₂

4,4-Difluoro-8(4'-hydroxyphenyl)-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene chemical structure, C19H19BF2N2O, CAS 870992-10-2

4,4-Difluoro-8(4'-hydroxyphenyl)-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene

CAS 870992-10-2C₁₉H₁₉BF₂N₂O

5,5-Difluoro-2,8-diiodo-10-mesityl-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide chemical structure, C22H23BF2I2N2, CAS 1310562-49-2

5,5-Difluoro-2,8-diiodo-10-mesityl-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

CAS 1310562-49-2C₂₂H₂₃BF₂I₂N₂

5,5-Difluoro-1,3,7,9-tetramethyl-10-phenyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine-2,8-dicarbaldehyde chemical structure, C21H19BF2N2O2, CAS 2022166-57-8

5,5-Difluoro-1,3,7,9-tetramethyl-10-phenyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine-2,8-dicarbaldehyde

CAS 2022166-57-8C₂₁H₁₉BF₂N₂O₂

2,2-Difluoro-8-(4-methoxyphenyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene-5,11-dicarbaldehyde chemical structure, C22H21BF2N2O3, CAS 1398731-34-4

2,2-Difluoro-8-(4-methoxyphenyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene-5,11-dicarbaldehyde

CAS 1398731-34-4C₂₂H₂₁BF₂N₂O₃

10-(4-Chlorophenyl)-5,5-difluoro-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide chemical structure, C19H18BClF2N2, CAS 949108-68-3

10-(4-Chlorophenyl)-5,5-difluoro-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

CAS 949108-68-3C₁₉H₁₈BClF₂N₂

10-(4-Chlorophenyl)-5,5-difluoro-2-formyl-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide chemical structure, C20H18BClF2N2O, CAS 1418748-45-4

10-(4-Chlorophenyl)-5,5-difluoro-2-formyl-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

CAS 1418748-45-4C₂₀H₁₈BClF₂N₂O