Murcko scaffold

Ring system with 5 rings and 29 atoms

21 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 29
Chemicals: 21
With full pages: 4

Scaffold SMILES

N=c1[nH]c2nc3ccccn3c(=O)c2cc1C(=O)NCc1ccc2c(c1)OCO2

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)NCc1ccc2c(c1)OCO2

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 21 of 21 chemicals

2-Imino-5-keto-1-(3-methoxypropyl)-N-piperonyl-dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide

CAS 573941-78-3C₂₄H₂₃N₅O₅

N-(1,3-Benzodioxol-5-ylmethyl)-1-(3-ethoxypropyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS 844461-19-4C₂₅H₂₅N₅O₅

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

CAS 844460-26-0C₂₄H₂₃N₅O₄

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

CAS 844852-14-8C₂₆H₂₇N₅O₅

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

CAS 848755-03-3C₂₅H₂₅N₅O₅

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

CAS 849828-75-7C₂₆H₂₇N₅O₄

N-(1,3-Benzodioxol-5-ylmethyl)-1-butyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS 858754-87-7C₂₄H₂₃N₅O₄

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

CAS 843633-74-9C₂₁H₁₇N₅O₄

N-(1,3-Benzodioxol-5-ylmethyl)-2-imino-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS 578746-40-4C₂₃H₂₁N₅O₄

N-(2H-Benzo[3,4-d]1,3-dioxolen-5-ylmethyl)(2-imino-5-oxo-1-pentyl(1,6-dihydrop yridino[1,2-a]pyridino[2,3-d]pyrimidin-3-yl))carboxamide

CAS 578760-33-5C₂₅H₂₅N₅O₄

$N-[(2H-1,3-Benzodioxol-5-yl)methyl]-6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide chemical structure, C23H21N5O4, CAS 858765-64-7$

N-[(2H-1,3-Benzodioxol-5-yl)methyl]-6-imino-2-oxo-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 858765-64-7C₂₃H₂₁N₅O₄

N-(1,3-Benzodioxol-5-ylmethyl)-2-imino-1,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS 877788-46-0C₂₂H₁₉N₅O₄

N-(1,3-Benzodioxol-5-ylmethyl)-2-imino-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS 844859-50-3C₂₈H₃₁N₅O₄

N-(1,3-Benzodioxol-5-ylmethyl)-2-imino-10-methyl-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

CAS 844824-89-1C₂₇H₂₉N₅O₅

$N-[(2H-1,3-Benzodioxol-5-yl)methyl]-7-ethyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide chemical structure, C22H19N5O4, CAS 858768-29-3$

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

CAS 858768-29-3C₂₂H₁₉N₅O₄

1-Allyl-N~3~-(1,3-benzodioxol-5-ylmethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

CAS 848733-66-4C₂₃H₁₉N₅O₄

N~3~-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-isopropyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

CAS 847376-21-0C₂₄H₂₃N₅O₄

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

CAS 847858-81-5C₂₉H₃₃N₅O₄

$N-[(2H-1,3-Benzodioxol-5-yl)methyl]-7-butyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide chemical structure, C25H25N5O4, CAS 848670-43-9$

N-[(2H-1,3-Benzodioxol-5-yl)methyl]-7-butyl-6-imino-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 848670-43-9C₂₅H₂₅N₅O₄

$N-[(2H-1,3-Benzodioxol-5-yl)methyl]-6-imino-7-(2-methoxyethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide chemical structure, C23H21N5O5, CAS 858769-08-1$

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

CAS 858769-08-1C₂₃H₂₁N₅O₅

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

CAS 844452-29-5C₂₃H₂₁N₅O₄