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Murcko scaffold

Ring system with 4 rings and 19 atoms

9 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
19
Chemicals
9
With full pages
3
Scaffold SMILES

O=C1NCC2(CCCCC2)n2c1cc1cncnc12

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=C1NCC2(CCCCC2)n2c1cc1cncnc12

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 9 of 9 chemicals

2'-Chloro-7',8'-dihydro-6'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one chemical structure, C14H15ClN4O, CAS 1374635-90-1
2'-Chloro-7',8'-dihydro-6'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one
CAS 1374635-90-1C14H15ClN4O
tert-Butyl 2'-chloro-6'-oxo-6'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'(8'H)-carboxylate chemical structure, C19H23ClN4O3, CAS 2170791-57-6
tert-Butyl 2'-chloro-6'-oxo-6'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'(8'H)-carboxylate
CAS 2170791-57-6C19H23ClN4O3
5'-Hydroxy-2'-(methylthio)-6'-oxo-spiro(cyclohexane-1,9'(6'H)-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidine)-7'(8'H)-carboxylic acid 1,1-dimethylethyl ester chemical structure, C20H26N4O4S, CAS 2170746-97-9
5'-Hydroxy-2'-(methylthio)-6'-oxo-spiro(cyclohexane-1,9'(6'H)-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidine)-7'(8'H)-carboxylic acid 1,1-dimethylethyl ester
CAS 2170746-97-9C20H26N4O4S
RefChem:439540 chemical structure, C21H25F3N4O6S2, CAS 2170746-98-0
RefChem:439540
CAS 2170746-98-0C21H25F3N4O6S2
2'-(Methylthio)-7',8'-dihydro-6'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one chemical structure, C15H18N4OS, CAS 2170747-00-7
2'-(Methylthio)-7',8'-dihydro-6'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one
CAS 2170747-00-7C15H18N4OS
2'-(Methylsulfonyl)-7',8'-dihydro-6'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one chemical structure, C15H18N4O3S, CAS 2170747-01-8
2'-(Methylsulfonyl)-7',8'-dihydro-6'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one
CAS 2170747-01-8C15H18N4O3S
Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'(8'H)-carboxylic acid, 2'-(methylthio)-6'-oxo-, 1,1-dimethylethyl ester chemical structure, C20H26N4O3S, CAS 2170746-99-1
Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'(8'H)-carboxylic acid, 2'-(methylthio)-6'-oxo-, 1,1-dimethylethyl ester
CAS 2170746-99-1C20H26N4O3S
9Sbv4ZB2BY chemical structure, C14H17N5O, CAS 2361992-17-6
9Sbv4ZB2BY
CAS 2361992-17-6C14H17N5O
Trilaciclib impurity 23 chemical structure, C15H18N4O2S, CAS 2839660-02-3
Trilaciclib impurity 23
CAS 2839660-02-3C15H18N4O2S