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Murcko scaffold

Ring system with 3 rings and 21 atoms

12 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
12
With full pages
2
Scaffold SMILES

O=C(c1ccccc1Sc1ccccc1)N1CCNCC1

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=C(c1ccccc1Sc1ccccc1)N1CCNCC1

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 12 of 12 chemicals

Piperazine, 1-methyl-4-[2-(phenylthio)benzoyl]- chemical structure, C18H20N2OS, CAS 93288-87-0
Piperazine, 1-methyl-4-[2-(phenylthio)benzoyl]-
CAS 93288-87-0C18H20N2OS
Piperazine, 1-[2-[[2-(hydroxymethyl)phenyl]thio]benzoyl]-4-methyl- chemical structure, C19H22N2O2S, CAS 93288-95-0
Piperazine, 1-[2-[[2-(hydroxymethyl)phenyl]thio]benzoyl]-4-methyl-
CAS 93288-95-0C19H22N2O2S
Piperazine, 1-(2-((2-acetyl-4-chlorophenyl)thio)benzoyl)-4-methyl-, monohydrochloride chemical structure, C20H22Cl2N2O2S, CAS 93289-05-5
Piperazine, 1-(2-((2-acetyl-4-chlorophenyl)thio)benzoyl)-4-methyl-, monohydrochloride
CAS 93289-05-5C20H22Cl2N2O2S
Quetiapine, open ring- chemical structure, C21H27N3O3S, CAS 848814-27-7
Quetiapine, open ring-
CAS 848814-27-7C21H27N3O3S
Piperazine, 1-methyl-4-(2-(phenylthio)benzoyl)-, (Z)-2-butenedioate (1:1) chemical structure, C22H24N2O5S, CAS 93288-88-1
Piperazine, 1-methyl-4-(2-(phenylthio)benzoyl)-, (Z)-2-butenedioate (1:1)
CAS 93288-88-1C22H24N2O5S
Piperazine, 1-methyl-4-(2-((2-methylphenyl)thio)benzoyl)-, (Z)-2-butenedioate (1:1) chemical structure, C23H26N2O5S, CAS 93288-90-5
Piperazine, 1-methyl-4-(2-((2-methylphenyl)thio)benzoyl)-, (Z)-2-butenedioate (1:1)
CAS 93288-90-5C23H26N2O5S
Piperazine, 1-methyl-4-(2-((4-methylphenyl)thio)benzoyl)-, (Z)-2-butenedioate (1:1) chemical structure, C23H26N2O5S, CAS 93288-92-7
Piperazine, 1-methyl-4-(2-((4-methylphenyl)thio)benzoyl)-, (Z)-2-butenedioate (1:1)
CAS 93288-92-7C23H26N2O5S
Piperazine, 1-(2-((4-chlorophenyl)thio)benzoyl)-4-methyl-, (Z)-2-butenedioate (1:1) chemical structure, C22H23ClN2O5S, CAS 93288-94-9
Piperazine, 1-(2-((4-chlorophenyl)thio)benzoyl)-4-methyl-, (Z)-2-butenedioate (1:1)
CAS 93288-94-9C22H23ClN2O5S
Piperazine, 1-(2-((4-chloro-2-(1-hydroxyethyl)phenyl)thio)benzoyl)-4-methyl-, (Z)-2-butenedioate (1:1) chemical structure, C24H27ClN2O6S, CAS 93289-07-7
Piperazine, 1-(2-((4-chloro-2-(1-hydroxyethyl)phenyl)thio)benzoyl)-4-methyl-, (Z)-2-butenedioate (1:1)
CAS 93289-07-7C24H27ClN2O6S
Piperazine, 1-(2-((2-(hydroxymethyl)phenyl)thio)benzoyl)-4-methyl-, (Z)-2-butenedioate (1:1) chemical structure, C23H26N2O6S, CAS 93288-96-1
Piperazine, 1-(2-((2-(hydroxymethyl)phenyl)thio)benzoyl)-4-methyl-, (Z)-2-butenedioate (1:1)
CAS 93288-96-1C23H26N2O6S
N-(2-((2-(4-(2-(2-Hydroxyethoxy)ethyl)piperazine-1-carbonyl)phenyl)thio)phenyl)acetamide chemical structure, C23H29N3O4S, CAS 1371638-10-6
N-(2-((2-(4-(2-(2-Hydroxyethoxy)ethyl)piperazine-1-carbonyl)phenyl)thio)phenyl)acetamide
CAS 1371638-10-6C23H29N3O4S
(E)-But-2-enedioic acid, N-(2-(2-(4-(2-(2-hydroxyethoxy)ethyl)piperazine-1-carbonyl)phenyl)sulfanylphenyl)acetamide chemical structure, C27H33N3O8S, CAS 2734483-49-7
(E)-But-2-enedioic acid, N-(2-(2-(4-(2-(2-hydroxyethoxy)ethyl)piperazine-1-carbonyl)phenyl)sulfanylphenyl)acetamide
CAS 2734483-49-7C27H33N3O8S