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Murcko scaffold

Ring system with 4 rings and 23 atoms

9 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
9
With full pages
0
Scaffold SMILES

c1ccc2c(c1)Sc1cccnc1N2CCCN1CCNCC1

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 c1ccc2c(c1)Sc1cccnc1N2CCCN1CCNCC1

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 9 of 9 chemicals

Cloxypendyl chemical structure, C20H25ClN4OS, CAS 15311-77-0
Cloxypendyl
CAS 15311-77-0C20H25ClN4OS
Oxypendyl chemical structure, C20H26N4OS, CAS 5585-93-3
Oxypendyl
CAS 5585-93-3C20H26N4OS
Cloxypendyl dihydrochloride chemical structure, C20H27Cl3N4OS, CAS 19824-89-6
Cloxypendyl dihydrochloride
CAS 19824-89-6C20H27Cl3N4OS
1-Piperazineethanol, 4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, acetate, dihydrochloride chemical structure, C22H29Cl3N4O2S, CAS 19824-90-9
1-Piperazineethanol, 4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, acetate, dihydrochloride
CAS 19824-90-9C22H29Cl3N4O2S
10H-Pyrido(3,2-b)(1,4)benzothiazine, 3-chloro-10-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride chemical structure, C19H25Cl3N4S, CAS 19824-98-7
10H-Pyrido(3,2-b)(1,4)benzothiazine, 3-chloro-10-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride
CAS 19824-98-7C19H25Cl3N4S
1-Piperazineethanol, 4-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, acetate, dihydrochloride chemical structure, C22H30Cl2N4O2S, CAS 67351-25-1
1-Piperazineethanol, 4-(3-(10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, acetate, dihydrochloride
CAS 67351-25-1C22H30Cl2N4O2S
10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride chemical structure, C19H26Cl2N4S, CAS 67465-74-1
10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride
CAS 67465-74-1C19H26Cl2N4S
Oxypendyl dihydrochloride chemical structure, C20H28Cl2N4OS, CAS 17297-82-4
Oxypendyl dihydrochloride
CAS 17297-82-4C20H28Cl2N4OS
Oxypendyl monohydrochloride chemical structure, C20H27ClN4OS, CAS 22199-40-2
Oxypendyl monohydrochloride
CAS 22199-40-2C20H27ClN4OS