Murcko scaffold
Ring system with 4 rings and 26 atoms
24 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 26
- Chemicals
- 24
- With full pages
- 6
Scaffold SMILES
O=C(NCc1ccccc1)c1cn2c(cc1=O)C(=O)N1CCCOC1C2
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.
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 24 of 24 chemicals
Dolutegravir sodium
CAS 1051375-19-9C20H18F2N3NaO5
![(4R,12AS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12A-hexahydro-7-methoxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-B][1,3]oxazine-9-carboxamide chemical structure, C21H21F2N3O5, CAS 1335210-35-9](/s/MOSMLVZNRGURDI-BZNIZROVSA-N.svg)
(4R,12AS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12A-hexahydro-7-methoxy-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-B][1,3]oxazine-9-carboxamide
CAS 1335210-35-9C21H21F2N3O5
Dolutegravir
CAS 1051375-16-6C20H19F2N3O5
Triumeq
CAS 1319715-09-7C42H48F2N12O9S
![N-(2,4-Difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide chemical structure, C20H19F2N3O5, CAS 1830380-29-4](/s/RHWKPHLQXYSBKR-UHFFFAOYSA-N.svg)
N-(2,4-Difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
CAS 1830380-29-4C20H19F2N3O5
Dolutegravir S,R
CAS 1309560-49-3C20H19F2N3O5
Dolutegravir-d6
CAS 1407166-95-3C20H19F2N3O5
Dolutegravir sodium monohydrate
CAS 1229006-39-6C20H20F2N3NaO6
4-Epi-dolutegravir
CAS 1357289-29-2C20H19F2N3O5
Dolutegravir S,S-
CAS 1357289-37-2C20H19F2N3O5
O-Ethyl dolutegravir
CAS 1802141-49-6C22H23F2N3O5
Des(N-((2,4-difluorophenyl)methyl))-N-((2,4-difluorophenyl)hydroxymethyl)dolutegavir
CAS 1485692-24-7C20H19F2N3O6
Dolutegravir-d5
CAS 2249814-82-0C20H19F2N3O5
Defluoro dolutegravir (>85%)
CAS 1863916-88-4C20H20FN3O5
Desdifluoro dolutegravir
CAS 2244161-71-3C20H21N3O5
4-Defluoro dolutegravir
CAS 1863916-87-3C20H20FN3O5
4-Desfluoro-6-fluoro dolutegravir
CAS 2244161-72-4C20H19F2N3O5
Defluoro O-methyl dolutegravir
CAS 2244245-33-6C21H22FN3O5
O-Methyl ent-Dolutegravir
CAS 2583719-57-5C21H21F2N3O5
Dolutegravir impurity 15
CAS 2384108-28-3C21H21F2N3O5
Dolutegravir sodium SR isomer
CAS 1309575-43-6C20H18F2N3NaO5
Dolutegravir impurity 40
CAS 1809261-48-0C20H18F2N3NaO5
![(4R,12aS)-N-(2,6-Difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide chemical structure, C21H21F2N3O5, CAS 2244245-35-8](/s/MGVUNSJIQHGDFW-BZNIZROVSA-N.svg)
(4R,12aS)-N-(2,6-Difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
CAS 2244245-35-8C21H21F2N3O5
Dolutegravir impurity 90
CAS 2244245-36-9C21H22FN3O5
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold N=c1[nH]c2nc3ccccn3c(=O)c2cc1C(=O)NCc1ccccc1](/scaffold/AGNSTMFRCXFPBS-UHFFFAOYSA-N/structure.svg)
N=c1[nH]c2nc3ccccn3c(=O)c2cc1C(=O)NCc1ccccc132 chemicals![Scaffold N=c1[nH]c2nc3ccccn3c(=O)c2cc1C(=O)NCc1cccnc1](/scaffold/QITFJFPPQKEMSP-UHFFFAOYSA-N/structure.svg)
N=c1[nH]c2nc3ccccn3c(=O)c2cc1C(=O)NCc1cccnc116 chemicals
O=C(NCc1ccncc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O1 chemical
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NCc3cccnc3)ccc211 chemical
O=C(NCc1ccccc1)c1ccc2c(c1)NC1CCCCN1C2=O1 chemical
C(=NNc1ccccc1)c1cnc2cc3c(cc2c1)OCCO31 chemical