Murcko scaffold

Ring system with 4 rings and 27 atoms

69 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 27
Chemicals: 69
With full pages: 13

Scaffold SMILES

N=c1[nH]c2nc3ccccn3c(=O)c2cc1C(=O)NCCc1ccccc1

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 N=c1[nH]c2nc3ccccn3c(=O)c2cc1C(=O)NCCc1ccccc1

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 48 of 69 chemicals

2-Imino-1-isopropyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid phenethyl-amide

CAS 607385-30-8C₂₃H₂₃N₅O₂

$6-Imino-7-(2-methoxyethyl)-N-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide chemical structure, C25H27N5O4, CAS 846592-72-1$

6-Imino-7-(2-methoxyethyl)-N-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

CAS 846592-72-1C₂₅H₂₇N₅O₄

2-Imino-8-methyl-5-oxo-N-(2-phenylethyl)-1-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS 683806-75-9C₂₄H₂₃N₅O₂

1-Ethyl-2-imino-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide

CAS 487023-33-6C₂₂H₂₁N₅O₂

1-Ethyl-2-imino-10-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS 500104-35-8C₂₃H₂₃N₅O₂

2-Imino-5-oxo-N-(2-phenylethyl)-1-propyl-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide

CAS 488716-82-1C₂₃H₂₃N₅O₂

2-Imino-10-methyl-5-oxo-N-(2-phenylethyl)-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS 371209-79-9C₂₄H₂₅N₅O₂

2-Imino-1-isopropyl-10-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide

CAS 607385-41-1C₂₄H₂₅N₅O₂

$6-Imino-13-methyl-2-oxo-N-(2-phenylethyl)-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide chemical structure, C24H25N5O2, CAS 607385-52-4$

6-Imino-13-methyl-2-oxo-N-(2-phenylethyl)-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

CAS 607385-52-4C₂₄H₂₅N₅O₂

$6-Imino-7-(3-methoxypropyl)-11-methyl-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide chemical structure, C25H27N5O3, CAS 510762-83-1$

6-Imino-7-(3-methoxypropyl)-11-methyl-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

CAS 510762-83-1C₂₅H₂₇N₅O₃

2-Imino-1-(2-methoxyethyl)-10-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide

CAS 497867-62-6C₂₄H₂₅N₅O₃

2-Imino-8-methyl-5-oxo-N-(2-phenylethyl)-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS 797814-67-6C₂₄H₂₅N₅O₂

2-Imino-1-(2-methoxyethyl)-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide

CAS 371222-17-2C₂₃H₂₃N₅O₃

2-Imino-1-(2-methoxyethyl)-8-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS 842963-74-0C₂₄H₂₅N₅O₃

$6-Imino-7-(3-methoxypropyl)-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide chemical structure, C24H25N5O3, CAS 510762-82-0$

6-Imino-7-(3-methoxypropyl)-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

CAS 510762-82-0C₂₄H₂₅N₅O₃

2-Imino-1-(3-methoxypropyl)-8-methyl-5-oxo-N-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS 842964-41-4C₂₅H₂₇N₅O₃

$7-(3-Hydroxypropyl)-6-imino-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide chemical structure, C23H23N5O3, CAS 799250-99-0$

7-(3-Hydroxypropyl)-6-imino-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

CAS 799250-99-0C₂₃H₂₃N₅O₃

$N-[2-(3,4-Dimethoxyphenyl)ethyl]-6-imino-7-(3-methoxypropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide chemical structure, C26H29N5O5, CAS 858761-71-4$