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Murcko scaffold

Ring system with 4 rings and 25 atoms

17 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
17
With full pages
3
Scaffold SMILES

O=C1Nc2cccnc2N(C(=O)CN2CCNCC2)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)CN2CCNCC2)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 17 of 17 chemicals

Pirenzepine chemical structure, C19H21N5O2, CAS 28797-61-7
Pirenzepine
CAS 28797-61-7C19H21N5O2
Pirenzepine hydrochloride chemical structure, C19H23Cl2N5O2, CAS 29868-97-1
Pirenzepine hydrochloride
CAS 29868-97-1C19H23Cl2N5O2
Guanylpirenzepine chemical structure, C19H23Cl2N7O2, CAS 122858-76-8
Guanylpirenzepine
CAS 122858-76-8C19H23Cl2N7O2
Pirenzepine monohydrochloride chemical structure, C19H22ClN5O2, CAS 93173-05-8
Pirenzepine monohydrochloride
CAS 93173-05-8C19H22ClN5O2
N-Methylpyrenzepine chemical structure, C20H23N5O2, CAS 107425-93-4
N-Methylpyrenzepine
CAS 107425-93-4C20H23N5O2
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-1-((4-(2-methyl-2-propenyl)-1-piperazinyl)acetyl)- chemical structure, C22H25N5O2, CAS 69628-20-2
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-1-((4-(2-methyl-2-propenyl)-1-piperazinyl)acetyl)-
CAS 69628-20-2C22H25N5O2
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((4-(3-methyl-2-butenyl)-1-piperazinyl)acetyl)-, dihydrochloride chemical structure, C23H29Cl2N5O2, CAS 69628-21-3
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((4-(3-methyl-2-butenyl)-1-piperazinyl)acetyl)-, dihydrochloride
CAS 69628-21-3C23H29Cl2N5O2
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((4-(2,2-dimethylpropyl)-1-piperazinyl)acetyl)- chemical structure, C23H29N5O2, CAS 69628-22-4
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((4-(2,2-dimethylpropyl)-1-piperazinyl)acetyl)-
CAS 69628-22-4C23H29N5O2
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((2,4-dimethyl-1-piperazinyl)acetyl)-, monohydrochloride chemical structure, C20H24ClN5O2, CAS 69628-30-4
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((2,4-dimethyl-1-piperazinyl)acetyl)-, monohydrochloride
CAS 69628-30-4C20H24ClN5O2
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((4-methyl-1-piperazinyl)acetyl)-, 1-oxide chemical structure, C19H21N5O3, CAS 84446-20-8
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((4-methyl-1-piperazinyl)acetyl)-, 1-oxide
CAS 84446-20-8C19H21N5O3
Pirenzepine hydrochloride hydrate chemical structure, C19H25Cl2N5O3, CAS 2242504-48-7
Pirenzepine hydrochloride hydrate
CAS 2242504-48-7C19H25Cl2N5O3
Piperazinium, 1-(2-(5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-1,4,4-trimethyl-, diiodide chemical structure, C21H27I2N5O2, CAS 96437-70-6
Piperazinium, 1-(2-(5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-1,4,4-trimethyl-, diiodide
CAS 96437-70-6C21H27I2N5O2
N-Desmethyl pirenzepine-d8 chemical structure, C18H19N5O2, CAS 1189860-05-6
N-Desmethyl pirenzepine-d8
CAS 1189860-05-6C18H19N5O2
Pirenzepine-d8 chemical structure, C19H21N5O2, CAS 1189944-02-2
Pirenzepine-d8
CAS 1189944-02-2C19H21N5O2
[3H]pirenzepine chemical structure, C19H21N5O2, CAS 1147996-37-9
[3H]pirenzepine
CAS 1147996-37-9C19H21N5O2
Pirenzepine monohydrate chemical structure, C19H23N5O3, CAS 84827-28-1
Pirenzepine monohydrate
CAS 84827-28-1C19H23N5O3
Pirenzepine-d8 dihydrochloride chemical structure, C19H23Cl2N5O2, CAS 2982740-97-4
Pirenzepine-d8 dihydrochloride
CAS 2982740-97-4C19H23Cl2N5O2