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Murcko scaffold

Ring system with 8 rings and 29 atoms

13 chemicals on CompoundList share this ring system.

Rings
8
Scaffold atoms
29
Chemicals
13
With full pages
4
Scaffold SMILES

c1cc2c3c(c1)OC1c4[nH]c5ccccc5c4CC4C(C2)N(CC2CC2)CCC314

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 c1cc2c3c(c1)OC1c4[nH]c5ccccc5c4CC4C(C2)N(CC2CC2)CCC314

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 13 of 13 chemicals

N-Methylnaltrindole chemical structure, C27H28N2O3, CAS 111555-57-8
N-Methylnaltrindole
CAS 111555-57-8C27H28N2O3
Naltrindole chemical structure, C26H26N2O3, CAS 111555-53-4
Naltrindole
CAS 111555-53-4C26H26N2O3
5'-Guanidinonaltrindole chemical structure, C27H29N5O3, CAS 219655-56-8
5'-Guanidinonaltrindole
CAS 219655-56-8C27H29N5O3
Guanidinyl-naltrindole di-trifluoroacetate chemical structure, C31H31F6N5O7, CAS 219655-57-9
Guanidinyl-naltrindole di-trifluoroacetate
CAS 219655-57-9C31H31F6N5O7
Naltrindole hydrochloride chemical structure, C26H27ClN2O3, CAS 111469-81-9
Naltrindole hydrochloride
CAS 111469-81-9C26H27ClN2O3
Guanidinonaltrindole Bis(trifluoroacetate) Salt chemical structure, C29H30F3N5O5
Guanidinonaltrindole Bis(trifluoroacetate) Salt
C29H30F3N5O5
Ethyl (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,8a,9,14,14b-octahydro-1,8a-dihydroxy-4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-12-carboxylate chemical structure, C29H30N2O5, CAS 892039-23-5
Ethyl (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,8a,9,14,14b-octahydro-1,8a-dihydroxy-4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-12-carboxylate
CAS 892039-23-5C29H30N2O5
N-Methylnaltrindole hydrochloride chemical structure, C27H29ClN2O3, CAS 111469-85-3
N-Methylnaltrindole hydrochloride
CAS 111469-85-3C27H29ClN2O3
GNTI dihydrochloride chemical structure, C27H31Cl2N5O3, CAS 351183-88-5
GNTI dihydrochloride
CAS 351183-88-5C27H31Cl2N5O3
GNTI dihydrochloride chemical structure, C27H30ClN5O3
GNTI dihydrochloride
C27H30ClN5O3
Naltrindole 5'-isothiocyanate chemical structure, C27H25N3O3S, CAS 126876-64-0
Naltrindole 5'-isothiocyanate
CAS 126876-64-0C27H25N3O3S
6'-Guanidinonaltrindole ditrifluoroacetate chemical structure, C31H31F6N5O7, CAS 350800-03-2
6'-Guanidinonaltrindole ditrifluoroacetate
CAS 350800-03-2C31H31F6N5O7
6'-GNTI dihydrochloride chemical structure, C27H31Cl2N5O3, CAS 2410327-94-3
6'-GNTI dihydrochloride
CAS 2410327-94-3C27H31Cl2N5O3