CompoundList
Sign in
Murcko scaffold

Ring system with 4 rings and 25 atoms

62 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
62
With full pages
5
Scaffold SMILES

C(=CC=CC1=Nc2ccccc2C1)C=CC=C1Cc2ccccc2N1

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=Nc2ccccc2C1)C=CC=C1Cc2ccccc2N1

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 62 chemicals

1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide chemical structure, C29H33IN2, CAS 19764-96-6
1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide
CAS 19764-96-6C29H33IN2
HTC iodide chemical structure, C29H33IN2
HTC iodide
C29H33IN2
Hitci chemical structure, C29H33IN2
Hitci
C29H33IN2
3H-Indolium, 2-(7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl)-1,3,3-trimethyl-, perchlorate (1:1) chemical structure, C29H33ClN2O4, CAS 16595-48-5
3H-Indolium, 2-(7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl)-1,3,3-trimethyl-, perchlorate (1:1)
CAS 16595-48-5C29H33ClN2O4
Dipentyl-3,3,3',3'-tetramethylindocarbocyanine chemical structure, C37H49IN2, CAS 159021-01-9
Dipentyl-3,3,3',3'-tetramethylindocarbocyanine
CAS 159021-01-9C37H49IN2
2-[7-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-3H-indolium iodide chemical structure, C29H33IN2
2-[7-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-3H-indolium iodide
C29H33IN2
1,3,3-Trimethyl-2-[(1E,3E,5E)-7-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolyliden)-1,3,5-heptatrienyl]-3H-indolium tetrafluoroborate chemical structure, C29H33BF4N2, CAS 61575-73-3
1,3,3-Trimethyl-2-[(1E,3E,5E)-7-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolyliden)-1,3,5-heptatrienyl]-3H-indolium tetrafluoroborate
CAS 61575-73-3C29H33BF4N2
Sodium 4-[(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate chemical structure, C35H43N2NaO6S2, CAS 120724-85-8
Sodium 4-[(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate
CAS 120724-85-8C35H43N2NaO6S2
C7-indocyanine chemical structure, C31H37IN2, CAS 17094-17-6
C7-indocyanine
CAS 17094-17-6C31H37IN2
diIC18(7) dye chemical structure, C63H101IN2, CAS 100068-60-8
diIC18(7) dye
CAS 100068-60-8C63H101IN2
6-(3,3-Dimethyl-2-(7-(1,3,3-trimethyl-3H-indol-1-ium-2-yl)hepta-2,4,6-trien-1-ylidene)indolin-1-yl)hexanoate chemical structure, C34H40N2O2
6-(3,3-Dimethyl-2-(7-(1,3,3-trimethyl-3H-indol-1-ium-2-yl)hepta-2,4,6-trien-1-ylidene)indolin-1-yl)hexanoate
C34H40N2O2
Omocianine chemical structure, C32H38N2O12S4, CAS 154082-13-0
Omocianine
CAS 154082-13-0C32H38N2O12S4
Sodium, (2E)-1,3,3-trimethyl-2-[(2E,4E,6E)-7-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole-5-sulfonate, hydrate chemical structure, C29H33N2NaO7S2, CAS 135408-43-4
Sodium, (2E)-1,3,3-trimethyl-2-[(2E,4E,6E)-7-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole-5-sulfonate, hydrate
CAS 135408-43-4C29H33N2NaO7S2
1,1-Dioctadecyl-3,3,3,3-tetramethylindotricarbocyanine Iodide (>90%) chemical structure, C63H101IN2
1,1-Dioctadecyl-3,3,3,3-tetramethylindotricarbocyanine Iodide (>90%)
C63H101IN2
1,1'-Bis-(4-sulfobutyl)-indotricarbocyanine-5,5'-dicarboxylic Acid Monosodium Salt chemical structure, C37H43N2NaO10S2, CAS 308127-43-7
1,1'-Bis-(4-sulfobutyl)-indotricarbocyanine-5,5'-dicarboxylic Acid Monosodium Salt
CAS 308127-43-7C37H43N2NaO10S2
SIDAG Dye chemical structure, C49H69N4NaO18S2, CAS 308127-47-1
SIDAG Dye
CAS 308127-47-1C49H69N4NaO18S2
Cy7 DiC18 chemical structure, C63H101IN2
Cy7 DiC18
C63H101IN2
6-[3,3-Dimethyl-2-[7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indol-1-yl]hexanoate chemical structure, C34H40N2O2
6-[3,3-Dimethyl-2-[7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indol-1-yl]hexanoate
C34H40N2O2
1,1',3,3,3',3'-Hexamethylindotricarbocyanine tetrafluoroborate chemical structure, C29H33BF4N2
1,1',3,3,3',3'-Hexamethylindotricarbocyanine tetrafluoroborate
C29H33BF4N2
3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-5-sulfo-, inner salt, sodium salt, monohydrate chemical structure, C29H33N2NaO7S2
3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-5-sulfo-, inner salt, sodium salt, monohydrate
C29H33N2NaO7S2
Sodium 4-[2-[7-[3,3-dimethyl-5-(2,3,4,5,6-pentahydroxyhexylcarbamoyl)-1-(4-sulfonatobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-5-(2,3,4,5,6-pentahydroxyhexylcarbamoyl)indol-1-yl]butane-1-sulfonate chemical structure, C49H69N4NaO18S2
Sodium 4-[2-[7-[3,3-dimethyl-5-(2,3,4,5,6-pentahydroxyhexylcarbamoyl)-1-(4-sulfonatobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-5-(2,3,4,5,6-pentahydroxyhexylcarbamoyl)indol-1-yl]butane-1-sulfonate
C49H69N4NaO18S2
1,3,3-Trimethyl-2-[(2E,4E,6E)-7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole tetrafluoroborate chemical structure, C29H33BF4N2
1,3,3-Trimethyl-2-[(2E,4E,6E)-7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole tetrafluoroborate
C29H33BF4N2
Sulfo-Cy7-acid chemical structure, C35H42N2O8S2, CAS 943298-08-6
Sulfo-Cy7-acid
CAS 943298-08-6C35H42N2O8S2
N-(Ac-PEG3)-N'-(azide-PEG3)-Cy7 chloride chemical structure, C43H58ClN5O7, CAS 2107273-00-5
N-(Ac-PEG3)-N'-(azide-PEG3)-Cy7 chloride
CAS 2107273-00-5C43H58ClN5O7