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Murcko scaffold

Ring system with 3 rings and 22 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
22
Chemicals
8
With full pages
1
Scaffold SMILES

O=C1CCCCN1CCCC(=O)N1CCc2cncnc2C1

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=C1CCCCN1CCCC(=O)N1CCc2cncnc2C1

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 8 of 8 chemicals

Gemigliptin chemical structure, C18H19F8N5O2, CAS 911637-19-9
Gemigliptin
CAS 911637-19-9C18H19F8N5O2
LC-15-0636 chemical structure, C18H19F8N5O3, CAS 1173174-99-6
LC-15-0636
CAS 1173174-99-6C18H19F8N5O3
2-Piperidinone, 1-((2S)-2-amino-4-(5,8-dihydro-2,4-bis(trifluoromethyl)pyrido(3,4-d)pyrimidin-7(6H)-yl)-4-oxobutyl)-5,5-difluoro-6-hydroxy-, (6R)- chemical structure, C18H19F8N5O3, CAS 1173174-97-4
2-Piperidinone, 1-((2S)-2-amino-4-(5,8-dihydro-2,4-bis(trifluoromethyl)pyrido(3,4-d)pyrimidin-7(6H)-yl)-4-oxobutyl)-5,5-difluoro-6-hydroxy-, (6R)-
CAS 1173174-97-4C18H19F8N5O3
Gemigliptin tartrate chemical structure, C22H25F8N5O8, CAS 1374639-74-3
Gemigliptin tartrate
CAS 1374639-74-3C22H25F8N5O8
(R)-Gemigliptin chemical structure, C18H19F8N5O2, CAS 2589693-22-9
(R)-Gemigliptin
CAS 2589693-22-9C18H19F8N5O2
(S)-tert-Butyl (4-(2,4-bis(trifluoromethyl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)-1-(5,5-difluoro-2-oxopiperidin-1-yl)-4-oxobutan-2-yl)carbamate chemical structure, C23H27F8N5O4, CAS 911637-18-8
(S)-tert-Butyl (4-(2,4-bis(trifluoromethyl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)-1-(5,5-difluoro-2-oxopiperidin-1-yl)-4-oxobutan-2-yl)carbamate
CAS 911637-18-8C23H27F8N5O4
1-[(2S)-2-Amino-4-[2,4-bis(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one, hydrochloride chemical structure, C18H20ClF8N5O2, CAS 1523530-62-2
1-[(2S)-2-Amino-4-[2,4-bis(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one, hydrochloride
CAS 1523530-62-2C18H20ClF8N5O2
Gemigliptin tartrate sesquihydrate chemical structure, C44H56F16N10O19, CAS 1375415-82-9
Gemigliptin tartrate sesquihydrate
CAS 1375415-82-9C44H56F16N10O19