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Murcko scaffold

Ring system with 4 rings and 22 atoms

23 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 22
Chemicals: 23
With full pages: 1

Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(N=Nc3c[nH]c4ccccc34)nc2[nH]1

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 O=c1[nH]c(=O)c2[nH]c(N=Nc3c[nH]c4ccccc34)nc2[nH]1

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 23 of 23 chemicals

(E)-7-(2-Hydroxyethyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C16H15N7O4, CAS 115294-94-5

(E)-7-(2-Hydroxyethyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 115294-94-5C₁₆H₁₅N₇O₄

(E)-7-Ethyl-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C16H15N7O3, CAS 301353-88-8

(E)-7-Ethyl-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 301353-88-8C₁₆H₁₅N₇O₃

3-Methyl-7-nonyl-8-[2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H29N7O3, CAS 304872-62-6

3-Methyl-7-nonyl-8-[2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione

CAS 304872-62-6C₂₃H₂₉N₇O₃

(E)-8-(2-(5-Bromo-2-oxoindolin-3-ylidene)hydrazinyl)-7-(2,3-dihydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H16BrN7O5, CAS 303969-58-6

(E)-8-(2-(5-Bromo-2-oxoindolin-3-ylidene)hydrazinyl)-7-(2,3-dihydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione

CAS 303969-58-6C₁₇H₁₆BrN₇O₅

8-[(2E)-2-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C17H16BrN7O4, CAS 333769-31-6

8-[(2E)-2-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

CAS 333769-31-6C₁₇H₁₆BrN₇O₄

(E)-7-(2,3-Dihydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H17N7O5, CAS 115294-99-0

(E)-7-(2,3-Dihydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 115294-99-0C₁₇H₁₇N₇O₅

(Z)-7-Ethyl-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H17N7O3, CAS 374921-29-6

(Z)-7-Ethyl-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 374921-29-6C₁₇H₁₇N₇O₃

(Z)-1,3-Dimethyl-7-(2-methylallyl)-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H19N7O3, CAS 374103-84-1

(Z)-1,3-Dimethyl-7-(2-methylallyl)-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 374103-84-1C₁₉H₁₉N₇O₃

(E)-7-Hexyl-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H23N7O3, CAS 328117-73-3

(E)-7-Hexyl-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 328117-73-3C₂₀H₂₃N₇O₃

8-[(2E)-2-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-6-hydroxy-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one chemical structure, C18H16BrN7O3, CAS 372184-52-6

8-[(2E)-2-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-6-hydroxy-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one

CAS 372184-52-6C₁₈H₁₆BrN₇O₃

(E)-7-Isopropyl-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H17N7O3, CAS 714236-19-8

(E)-7-Isopropyl-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 714236-19-8C₁₇H₁₇N₇O₃

(E)-7-(2-Hydroxy-3-isopropoxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H23N7O5, CAS 682775-96-8

(E)-7-(2-Hydroxy-3-isopropoxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 682775-96-8C₂₀H₂₃N₇O₅

1,3-Dimethyl-8-[(2Z)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H17N7O3, CAS 377068-06-9

1,3-Dimethyl-8-[(2Z)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

CAS 377068-06-9C₁₈H₁₇N₇O₃

(Z)-8-(2-(5-Bromo-2-oxoindolin-3-ylidene)hydrazinyl)-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H16BrN7O3, CAS 375840-75-8

(Z)-8-(2-(5-Bromo-2-oxoindolin-3-ylidene)hydrazinyl)-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

CAS 375840-75-8C₁₇H₁₆BrN₇O₃

(E)-7-Butyl-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H19N7O3, CAS 321731-81-1

(E)-7-Butyl-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 321731-81-1C₁₈H₁₉N₇O₃

7-[(2E)-But-2-en-1-yl]-3-methyl-8-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H17N7O3, CAS 306732-95-6

7-[(2E)-But-2-en-1-yl]-3-methyl-8-[(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione

CAS 306732-95-6C₁₈H₁₇N₇O₃

(E)-1-Allyl-3,7-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H17N7O3, CAS 887200-84-2

(E)-1-Allyl-3,7-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 887200-84-2C₁₈H₁₇N₇O₃

(E)-7-(2-Hydroxy-3-isopropoxypropyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H25N7O5, CAS 899357-84-7

(E)-7-(2-Hydroxy-3-isopropoxypropyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 899357-84-7C₂₁H₂₅N₇O₅

(E)-7-(3-(Allyloxy)-2-hydroxypropyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H23N7O5, CAS 899357-92-7

(E)-7-(3-(Allyloxy)-2-hydroxypropyl)-1,3-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 899357-92-7C₂₁H₂₃N₇O₅

(E)-7-(3-(Allyloxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H21N7O5, CAS 899358-10-2

(E)-7-(3-(Allyloxy)-2-hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 899358-10-2C₂₀H₂₁N₇O₅

(E)-7-(2-Hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H17N7O4, CAS 899350-72-2

(E)-7-(2-Hydroxypropyl)-3-methyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 899350-72-2C₁₇H₁₇N₇O₄

(Z)-1-Ethyl-3,7-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H17N7O3, CAS 1203444-91-0

(Z)-1-Ethyl-3,7-dimethyl-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione

CAS 1203444-91-0C₁₇H₁₇N₇O₃

7-((2Z)-3-Chloro-2-butenyl)-1,3-dimethyl-8-((2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H18ClN7O3, CAS 113577-86-9

7-((2Z)-3-Chloro-2-butenyl)-1,3-dimethyl-8-((2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino)-3,7-dihydro-1H-purine-2,6-dione

CAS 113577-86-9C₁₉H₁₈ClN₇O₃