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Murcko scaffold

Ring system with 5 rings and 28 atoms

6 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
6
With full pages
3
Scaffold SMILES

O=C(Nc1cnn2ccc(N3CCCC3c3ccccc3)nc12)N1CCCC1

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=C(Nc1cnn2ccc(N3CCCC3c3ccccc3)nc12)N1CCCC1

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 6 of 6 chemicals

Larotrectinib chemical structure, C21H22F2N6O2, CAS 1223403-58-4
Larotrectinib
CAS 1223403-58-4C21H22F2N6O2
(3R,4R)-N-[5-[(2R)-2-(2,5-Difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,4-dihydroxy-1-pyrrolidinecarboxamide chemical structure, C21H22F2N6O3, CAS 1223403-59-5
(3R,4R)-N-[5-[(2R)-2-(2,5-Difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,4-dihydroxy-1-pyrrolidinecarboxamide
CAS 1223403-59-5C21H22F2N6O3
Larotrectinib sulfate chemical structure, C21H24F2N6O6S, CAS 1223405-08-0
Larotrectinib sulfate
CAS 1223405-08-0C21H24F2N6O6S
(R)-N-(5-((S)-2-(2,5-Difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide chemical structure, C21H22F2N6O2, CAS 2409590-08-3
(R)-N-(5-((S)-2-(2,5-Difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide
CAS 2409590-08-3C21H22F2N6O2
(S)-N-(5-((S)-2-(2,5-Difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide chemical structure, C21H22F2N6O2, CAS 2409589-59-7
(S)-N-(5-((S)-2-(2,5-Difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide
CAS 2409589-59-7C21H22F2N6O2
Larotrectinib hydrochloride chemical structure, C21H23ClF2N6O2, CAS 1919868-83-9
Larotrectinib hydrochloride
CAS 1919868-83-9C21H23ClF2N6O2