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Murcko scaffold

Ring system with 4 rings and 25 atoms

8 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
8
With full pages
2
Scaffold SMILES

O=C1Nc2cccnc2N(C(=O)CN2CCCCC2)c2ccccc21

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=C1Nc2cccnc2N(C(=O)CN2CCCCC2)c2ccccc21

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

11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one chemical structure, C24H31N5O2, CAS 102394-31-0
11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CAS 102394-31-0C24H31N5O2
AQ-RA 741 chemical structure, C27H37N5O2, CAS 123548-16-3
AQ-RA 741
CAS 123548-16-3C27H37N5O2
Bibn 99 chemical structure, C31H42ClN5O3, CAS 145301-48-0
Bibn 99
CAS 145301-48-0C31H42ClN5O3
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((4-methoxy-1-piperidinyl)acetyl)- chemical structure, C20H22N4O3, CAS 69548-58-9
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((4-methoxy-1-piperidinyl)acetyl)-
CAS 69548-58-9C20H22N4O3
11-[2-(2-Ethylaminomethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one chemical structure, C22H27N5O2, CAS 158098-51-2
11-[2-(2-Ethylaminomethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
CAS 158098-51-2C22H27N5O2
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1-oxo-2-(1-piperidinyl)propyl)- chemical structure, C20H22N4O2, CAS 96437-65-9
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1-oxo-2-(1-piperidinyl)propyl)-
CAS 96437-65-9C20H22N4O2
Piperidinium, 1-(2-(5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-1-methyl-, iodide chemical structure, C20H23IN4O2, CAS 96437-73-9
Piperidinium, 1-(2-(5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-1-methyl-, iodide
CAS 96437-73-9C20H23IN4O2
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((3,3-dimethyl-1-piperidinyl)acetyl)- chemical structure, C21H24N4O2, CAS 96448-75-8
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((3,3-dimethyl-1-piperidinyl)acetyl)-
CAS 96448-75-8C21H24N4O2