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Murcko scaffold

Ring system with 3 rings and 18 atoms

11 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
11
With full pages
1
Scaffold SMILES

C(=Cc1nnc2n1CCCCC2)c1ccccc1

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 C(=Cc1nnc2n1CCCCC2)c1ccccc1

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 11 of 11 chemicals

(E)-4-(2-Cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)vinyl)phenyl acetate chemical structure, C18H18N4O2, CAS 325994-90-9
(E)-4-(2-Cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)vinyl)phenyl acetate
CAS 325994-90-9C18H18N4O2
(E)-4-(2-Cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)vinyl)-2-methoxyphenyl propionate chemical structure, C20H22N4O3, CAS 325734-33-6
(E)-4-(2-Cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)vinyl)-2-methoxyphenyl propionate
CAS 325734-33-6C20H22N4O3
(E)-4-(2-Cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)vinyl)-2-methoxyphenyl acetate chemical structure, C19H20N4O3, CAS 325736-13-8
(E)-4-(2-Cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)vinyl)-2-methoxyphenyl acetate
CAS 325736-13-8C19H20N4O3
(E)-3-(4-Methoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile chemical structure, C17H18N4O, CAS 958266-64-3
(E)-3-(4-Methoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile
CAS 958266-64-3C17H18N4O
(E)-3-(4-Ethoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile chemical structure, C18H20N4O, CAS 303127-02-8
(E)-3-(4-Ethoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile
CAS 303127-02-8C18H20N4O
(Z)-3-(4-Chlorophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile chemical structure, C16H15ClN4, CAS 303015-68-1
(Z)-3-(4-Chlorophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile
CAS 303015-68-1C16H15ClN4
(Z)-3-(3-Nitrophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile chemical structure, C16H15N5O2, CAS 1164454-90-3
(Z)-3-(3-Nitrophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile
CAS 1164454-90-3C16H15N5O2
(E)-2-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile hydrochloride chemical structure, C19H23ClN4O3, CAS 1217205-68-9
(E)-2-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile hydrochloride
CAS 1217205-68-9C19H23ClN4O3
(Z)-3-(4-Fluorophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile chemical structure, C16H15FN4, CAS 1322213-52-4
(Z)-3-(4-Fluorophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile
CAS 1322213-52-4C16H15FN4
(E)-3-(3-Ethoxy-4-hydroxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile chemical structure, C18H20N4O2, CAS 397266-32-9
(E)-3-(3-Ethoxy-4-hydroxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile
CAS 397266-32-9C18H20N4O2
(Z)-3-(4-Hydroxy-3-methoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile chemical structure, C17H18N4O2, CAS 306290-20-0
(Z)-3-(4-Hydroxy-3-methoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acrylonitrile
CAS 306290-20-0C17H18N4O2