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Murcko scaffold

Ring system with 3 rings and 12 atoms

70 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
12
Chemicals
70
With full pages
16
Scaffold SMILES

c1ccc2c(c1)NC1NCCC21

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 c1ccc2c(c1)NC1NCCC21

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 70 chemicals

(3,4,8B-Trimethyl-2,3A-dihydro-1H-pyrrolo(2,3-B)indol-7-yl) N-methylcarbamate chemical structure, C15H21N3O2, CAS 7128-53-2
(3,4,8B-Trimethyl-2,3A-dihydro-1H-pyrrolo(2,3-B)indol-7-yl) N-methylcarbamate
CAS 7128-53-2C15H21N3O2
Physostigmine chemical structure, C15H21N3O2, CAS 57-47-6
Physostigmine
CAS 57-47-6C15H21N3O2
Eserine hemisulfate chemical structure, C30H44N6O8S
Eserine hemisulfate
C30H44N6O8S
Eptastigmine chemical structure, C21H33N3O2, CAS 101246-68-8
Eptastigmine
CAS 101246-68-8C21H33N3O2
Physostigmine methiodide chemical structure, C16H24IN3O2, CAS 6091-11-8
Physostigmine methiodide
CAS 6091-11-8C16H24IN3O2
Physostigmine hydrochloride chemical structure, C15H22ClN3O2, CAS 6091-12-9
Physostigmine hydrochloride
CAS 6091-12-9C15H22ClN3O2
Physostigmine hydrobromide chemical structure, C15H22BrN3O2, CAS 6091-13-0
Physostigmine hydrobromide
CAS 6091-13-0C15H22BrN3O2
Eseroline chemical structure, C13H18N2O, CAS 469-22-7
Eseroline
CAS 469-22-7C13H18N2O
1-Methylphysostigmine chemical structure, C16H24N3O2+, CAS 121843-39-8
1-Methylphysostigmine
CAS 121843-39-8C16H24N3O2+
Flustramine B chemical structure, C21H29BrN2, CAS 71239-65-1
Flustramine B
CAS 71239-65-1C21H29BrN2
2-Hydroxybenzoic acid--1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl ethyl(methyl)carbamate (1/1) chemical structure, C24H31N3O5, CAS 129101-32-2
2-Hydroxybenzoic acid--1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl ethyl(methyl)carbamate (1/1)
CAS 129101-32-2C24H31N3O5
1-Acetyl-1,2,3,3a,8,8a-hexahydro-8a-hydroxy-5-methoxypyrrolo(2,3-b)indole chemical structure, C13H16N2O3, CAS 109210-52-8
1-Acetyl-1,2,3,3a,8,8a-hexahydro-8a-hydroxy-5-methoxypyrrolo(2,3-b)indole
CAS 109210-52-8C13H16N2O3
Dihydroflustramine C chemical structure, C16H21BrN2, CAS 93930-02-0
Dihydroflustramine C
CAS 93930-02-0C16H21BrN2
Flustramine E chemical structure, C16H21BrN2, CAS 158642-05-8
Flustramine E
CAS 158642-05-8C16H21BrN2
Thioeserine chemical structure, C15H21N3OS, CAS 61562-64-9
Thioeserine
CAS 61562-64-9C15H21N3OS
Eptastigmine tartrate chemical structure, C25H39N3O8, CAS 121652-76-4
Eptastigmine tartrate
CAS 121652-76-4C25H39N3O8
Esermethole chemical structure, C14H20N2O, CAS 65166-97-4
Esermethole
CAS 65166-97-4C14H20N2O
Eseramine chemical structure, C16H22N4O3, CAS 6091-57-2
Eseramine
CAS 6091-57-2C16H22N4O3
Pyrrolo[2,3-b]indole, 1,2,3,3a,8,8a-hexahydro-3a,8-dimethyl-, (3aS-cis)- chemical structure, C12H16N2, CAS 18152-60-8
Pyrrolo[2,3-b]indole, 1,2,3,3a,8,8a-hexahydro-3a,8-dimethyl-, (3aS-cis)-
CAS 18152-60-8C12H16N2
7-Methoxy-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole chemical structure, C13H18N2O, CAS 46479-70-3
7-Methoxy-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole
CAS 46479-70-3C13H18N2O
Flustramine A chemical structure, C21H29BrN2, CAS 71239-64-0
Flustramine A
CAS 71239-64-0C21H29BrN2
(-)-Physostigmine salicylate chemical structure, C22H27N3O5, CAS 57-64-7
(-)-Physostigmine salicylate
CAS 57-64-7C22H27N3O5
Pyrrolo[2,3-b]indole, 1,2,3,3a,8,8a-hexahydro-3a,8a-dimethyl-, (3aS-cis)- chemical structure, C12H16N2, CAS 4071-17-4
Pyrrolo[2,3-b]indole, 1,2,3,3a,8,8a-hexahydro-3a,8a-dimethyl-, (3aS-cis)-
CAS 4071-17-4C12H16N2
3a,8a-Dimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole chemical structure, C12H16N2, CAS 30963-49-6
3a,8a-Dimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole
CAS 30963-49-6C12H16N2