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Murcko scaffold

Ring system with 3 rings and 12 atoms

69 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
12
Chemicals
69
With full pages
11
Scaffold SMILES

[BH2-]1n2cccc2C=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=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 48 of 69 chemicals

3-Bodipy-propanoic Acid chemical structure, C14H15BF2N2O2, CAS 165599-63-3
3-Bodipy-propanoic Acid
CAS 165599-63-3C14H15BF2N2O2
5,5-Difluoro-1,3,7,9,10-pentamethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine-2,8-disulfonic acid chemical structure, C14H17BF2N2O6S2, CAS 203390-50-5
5,5-Difluoro-1,3,7,9,10-pentamethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine-2,8-disulfonic acid
CAS 203390-50-5C14H17BF2N2O6S2
Bodipy 505/515-8-C3-cooh chemical structure, C17H21BF2N2O2, CAS 878674-84-1
Bodipy 505/515-8-C3-cooh
CAS 878674-84-1C17H21BF2N2O2
Bodipy 8-chloromethane chemical structure, C14H16BClF2N2, CAS 208462-25-3
Bodipy 8-chloromethane
CAS 208462-25-3C14H16BClF2N2
5,5-Difluoro-9-(2-methoxy-2-oxoethyl)-3,7-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide chemical structure, C14H15BF2N2O2, CAS 126250-45-1
5,5-Difluoro-9-(2-methoxy-2-oxoethyl)-3,7-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide
CAS 126250-45-1C14H15BF2N2O2
5,11-Dibromo-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, C13H13BBr2F2N2, CAS 126250-60-0
5,11-Dibromo-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 126250-60-0C13H13BBr2F2N2
Pyrromethene 546 chemical structure, C14H17BF2N2, CAS 121207-31-6
Pyrromethene 546
CAS 121207-31-6C14H17BF2N2
[[(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane) chemical structure, C18H25BF2N2, CAS 131083-16-4
[[(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane)
CAS 131083-16-4C18H25BF2N2
(((3,5-Dimethyl-4-sulfo-1H-pyrrol-2-yl)(3,5-dimethyl-4-sulfo-2H-pyrrol-2-ylidene)methyl)methane)(difluoroborane) disodium salt chemical structure, C14H15BF2N2Na2O6S2, CAS 121461-69-6
(((3,5-Dimethyl-4-sulfo-1H-pyrrol-2-yl)(3,5-dimethyl-4-sulfo-2H-pyrrol-2-ylidene)methyl)methane)(difluoroborane) disodium salt
CAS 121461-69-6C14H15BF2N2Na2O6S2
2,8-Dibromo-5,5-difluoro-1,3,7,9,10-pentamethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine chemical structure, C14H15BBr2F2N2, CAS 134382-52-8
2,8-Dibromo-5,5-difluoro-1,3,7,9,10-pentamethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine
CAS 134382-52-8C14H15BBr2F2N2
(((4-Butyl-3,5-dimethyl-1H-pyrrol-2-yl)(4-butyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)methane)(difluoroborane) chemical structure, C22H33BF2N2, CAS 151486-56-5
(((4-Butyl-3,5-dimethyl-1H-pyrrol-2-yl)(4-butyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)methane)(difluoroborane)
CAS 151486-56-5C22H33BF2N2
Pyrromethene 597 chemical structure, C22H33BF2N2, CAS 137829-79-9
Pyrromethene 597
CAS 137829-79-9C22H33BF2N2
7-(3-((2-Aminoethyl)amino)-3-oxopropyl)-5,5-difluoro-1,3-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide chemical structure, C16H21BF2N4O, CAS 220524-70-9
7-(3-((2-Aminoethyl)amino)-3-oxopropyl)-5,5-difluoro-1,3-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide
CAS 220524-70-9C16H21BF2N4O
Green DND-26 chemical structure, C18H25BF2N4O, CAS 220524-71-0
Green DND-26
CAS 220524-71-0C18H25BF2N4O
Bodipy 505/515 chemical structure, C13H15BF2N2, CAS 21658-70-8
Bodipy 505/515
CAS 21658-70-8C13H15BF2N2
(((3,4,5-Trimethyl-1H-pyrrol-2-yl)(3,4,5-trimethyl-2H-pyrrol-2-ylidene)methyl)carbonitrile)(difluoroborane) chemical structure, C16H18BF2N3, CAS 157410-23-6
(((3,4,5-Trimethyl-1H-pyrrol-2-yl)(3,4,5-trimethyl-2H-pyrrol-2-ylidene)methyl)carbonitrile)(difluoroborane)
CAS 157410-23-6C16H18BF2N3
(2-((Methylthio)(2H-pyrrol-2-ylidene)methyl)-1H-pyrrole)(difluoroborane) chemical structure, C10H9BF2N2S, CAS 892505-41-8
(2-((Methylthio)(2H-pyrrol-2-ylidene)methyl)-1H-pyrrole)(difluoroborane)
CAS 892505-41-8C10H9BF2N2S
4,4-Difluoro-4-bora-3a,4a-diaza-s-indacene chemical structure, C9H7BF2N2, CAS 138026-71-8
4,4-Difluoro-4-bora-3a,4a-diaza-s-indacene
CAS 138026-71-8C9H7BF2N2
BODIPY aminoacetaldehyde chemical structure, C16H18BF2N3O2, CAS 247069-94-9
BODIPY aminoacetaldehyde
CAS 247069-94-9C16H18BF2N3O2
10-(2-Carboxyethyl)-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, C16H19BF2N2O2, CAS 216961-95-4
10-(2-Carboxyethyl)-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 216961-95-4C16H19BF2N2O2
3-Bodipy-propanoic Acid Methyl Ester chemical structure, C15H17BF2N2O2, CAS 1242057-00-6
3-Bodipy-propanoic Acid Methyl Ester
CAS 1242057-00-6C15H17BF2N2O2
3-Bodipy-octanoic Acid chemical structure, C19H25BF2N2O2, CAS 1123637-28-4
3-Bodipy-octanoic Acid
CAS 1123637-28-4C19H25BF2N2O2
8-Bromomethyl-4,4-difluoro-1,3,5,7-tetramethyl-4-bora-3A,4A-diaza-S-indacene chemical structure, C14H16BBrF2N2, CAS 216434-81-0
8-Bromomethyl-4,4-difluoro-1,3,5,7-tetramethyl-4-bora-3A,4A-diaza-S-indacene
CAS 216434-81-0C14H16BBrF2N2
BDP FL azide chemical structure, C17H21BF2N6O, CAS 1379771-95-5
BDP FL azide
CAS 1379771-95-5C17H21BF2N6O