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Murcko scaffold

Ring system with 6 rings and 33 atoms

46 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
33
Chemicals
46
With full pages
3
Scaffold SMILES

C(=CC=CC1=Nc2ccc3ccccc3c2C1)C=CC=C1Cc2c(ccc3ccccc23)N1

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 C(=CC=CC1=Nc2ccc3ccccc3c2C1)C=CC=C1Cc2c(ccc3ccccc23)N1

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 46 of 46 chemicals

1H-Benz[e]indolium, 2-[7-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,1,3-trimethyl-, perchlorate (1:1) chemical structure, C37H37ClN2O4, CAS 23178-67-8
1H-Benz[e]indolium, 2-[7-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,1,3-trimethyl-, perchlorate (1:1)
CAS 23178-67-8C37H37ClN2O4
RefChem:459296 chemical structure, C43H47IN2Na2O6S2, CAS 63450-67-9
RefChem:459296
CAS 63450-67-9C43H47IN2Na2O6S2
Indocyanine green chemical structure, C43H47N2NaO6S2, CAS 3599-32-4
Indocyanine green
CAS 3599-32-4C43H47N2NaO6S2
1H-Benz[e]indolium, 3-(2-carboxyethyl)-2-[7-[3-(2-carboxyethyl)-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl]-1,1-dimethyl- chemical structure, C41H41N2O4+, CAS 95736-60-0
1H-Benz[e]indolium, 3-(2-carboxyethyl)-2-[7-[3-(2-carboxyethyl)-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl]-1,1-dimethyl-
CAS 95736-60-0C41H41N2O4+
Cypate chemical structure, C41H41BrN2O4, CAS 317809-26-0
Cypate
CAS 317809-26-0C41H41BrN2O4
3-(5-Carboxypentyl)-2-(7-(3-(5-carboxypentyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide chemical structure, C47H53BrN2O4, CAS 432491-45-7
3-(5-Carboxypentyl)-2-(7-(3-(5-carboxypentyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide
CAS 432491-45-7C47H53BrN2O4
1H-Benz[e]indolium, 2-E-A-(5-carboxypentyl)-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3-ethyl-1,1-dimethyl-, inner salt chemical structure, C43H46N2O2, CAS 181933-99-3
1H-Benz[e]indolium, 2-E-A-(5-carboxypentyl)-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3-ethyl-1,1-dimethyl-, inner salt
CAS 181933-99-3C43H46N2O2
Indocyanine green (Standard) chemical structure, C43H47N2NaO6S2, CAS 1186063-66-0
Indocyanine green (Standard)
CAS 1186063-66-0C43H47N2NaO6S2
Cy7.5 diacid chemical structure, C47H53BrN2O4
Cy7.5 diacid
C47H53BrN2O4
Icg-(cooh)2 chemical structure, C47H53N2O4+, CAS 473440-87-8
Icg-(cooh)2
CAS 473440-87-8C47H53N2O4+
6-[1,1-Dimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indol-3-yl]hexanoate chemical structure, C42H44N2O2, CAS 1144107-81-2
6-[1,1-Dimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indol-3-yl]hexanoate
CAS 1144107-81-2C42H44N2O2
4-(2-(7-(3-(3-Aminopropyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate chemical structure, C42H47N3O3S, CAS 1036378-15-0
4-(2-(7-(3-(3-Aminopropyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
CAS 1036378-15-0C42H47N3O3S
4,5:4'',5''-Dibenzo-1,1''-dibutyl-3,3,3'',3''-tetramethylindatricarbocyanine hexafluorophosphate chemical structure, C43H49F6N2P, CAS 663161-10-2
4,5:4'',5''-Dibenzo-1,1''-dibutyl-3,3,3'',3''-tetramethylindatricarbocyanine hexafluorophosphate
CAS 663161-10-2C43H49F6N2P
(2E)-1,1,3-Trimethyl-2-[(2E,4E,6E)-7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole iodide chemical structure, C37H37IN2, CAS 90429-30-4
(2E)-1,1,3-Trimethyl-2-[(2E,4E,6E)-7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole iodide
CAS 90429-30-4C37H37IN2
Cy7.5 chemical structure, C43H46N2O14S4
Cy7.5
C43H46N2O14S4
3-Ethyl-2-(7-(3-ethyl-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium iodide chemical structure, C39H41IN2, CAS 103090-94-4
3-Ethyl-2-(7-(3-ethyl-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium iodide
CAS 103090-94-4C39H41IN2
Cy7.5 chemical structure, C43H46N2O14S4, CAS 847180-48-7
Cy7.5
CAS 847180-48-7C43H46N2O14S4
Indocyanine green acid form chemical structure, C43H48N2O6S2, CAS 28782-33-4
Indocyanine green acid form
CAS 28782-33-4C43H48N2O6S2
Cy7.5 diacid(diso3) chemical structure, C47H52N2O10S2, CAS 752189-27-8
Cy7.5 diacid(diso3)
CAS 752189-27-8C47H52N2O10S2
Cy7.5 diacid(diso3) chemical structure, C47H52N2O10S2
Cy7.5 diacid(diso3)
C47H52N2O10S2
ICG-alkyne chemical structure, C48H53N3O4S, CAS 1622335-41-4
ICG-alkyne
CAS 1622335-41-4C48H53N3O4S
Cy7.5Acid(mono SO3) chemical structure, C45H50N2O5S, CAS 181934-09-8
Cy7.5Acid(mono SO3)
CAS 181934-09-8C45H50N2O5S
4-[(2E)-2-[(2E,4E,6E)-7-[1,1-Dimethyl-3-[6-oxo-6-(prop-2-ynylamino)hexyl]benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate chemical structure, C48H53N3O4S
4-[(2E)-2-[(2E,4E,6E)-7-[1,1-Dimethyl-3-[6-oxo-6-(prop-2-ynylamino)hexyl]benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate
C48H53N3O4S
Cy5.5 azide chemical structure, C45H51ClN6O
Cy5.5 azide
C45H51ClN6O