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Murcko scaffold

Ring system with 3 rings and 17 atoms

22 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
22
With full pages
3
Scaffold SMILES

O=C1C=C2CN(Cc3ccccc3)CCC2S1

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=C1C=C2CN(Cc3ccccc3)CCC2S1

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 22 of 22 chemicals

Pcr 3787 chemical structure, C14H14ClNOS, CAS 83427-51-4
Pcr 3787
CAS 83427-51-4C14H14ClNOS
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-(1-(2-chlorophenyl)ethyl)-, hydrochloride chemical structure, C15H17Cl2NOS, CAS 83427-62-7
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-(1-(2-chlorophenyl)ethyl)-, hydrochloride
CAS 83427-62-7C15H17Cl2NOS
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-(1-(2-chlorophenyl)propyl)-, hydrochloride chemical structure, C16H19Cl2NOS, CAS 83427-64-9
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-(1-(2-chlorophenyl)propyl)-, hydrochloride
CAS 83427-64-9C16H19Cl2NOS
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-cyanophenyl)methyl)-, ethanedioate (1:1) chemical structure, C17H16N2O5S, CAS 83427-66-1
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-cyanophenyl)methyl)-, ethanedioate (1:1)
CAS 83427-66-1C17H16N2O5S
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-nitrophenyl)methyl)-, ethanedioate (1:1) chemical structure, C16H16N2O7S, CAS 83427-68-3
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-nitrophenyl)methyl)-, ethanedioate (1:1)
CAS 83427-68-3C16H16N2O7S
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-bromophenyl)methyl)-, ethanedioate (1:1) chemical structure, C16H16BrNO5S, CAS 83427-70-7
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-bromophenyl)methyl)-, ethanedioate (1:1)
CAS 83427-70-7C16H16BrNO5S
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-methylphenyl)methyl)-, ethanedioate (1:1) chemical structure, C17H19NO5S, CAS 83446-90-6
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-methylphenyl)methyl)-, ethanedioate (1:1)
CAS 83446-90-6C17H19NO5S
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-(phenylmethyl)-, (Z)-2-butenedioate(1:1) chemical structure, C18H19NO5S, CAS 83427-57-0
Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-(phenylmethyl)-, (Z)-2-butenedioate(1:1)
CAS 83427-57-0C18H19NO5S
Thieno(3,2-e)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-5-((4-chlorophenyl)methyl)-, (Z)-2-butenedioate (1:1) chemical structure, C18H18ClNO5S, CAS 83427-59-2
Thieno(3,2-e)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-5-((4-chlorophenyl)methyl)-, (Z)-2-butenedioate (1:1)
CAS 83427-59-2C18H18ClNO5S
Agn-PC-0N4LR1 chemical structure, C14H14ClNO2S, CAS 89481-78-7
Agn-PC-0N4LR1
CAS 89481-78-7C14H14ClNO2S
Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate chemical structure, C16H16ClNO3S, CAS 109904-27-0
Methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate
CAS 109904-27-0C16H16ClNO3S
Methyl (2-oxo-2,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)(phenyl)acetate chemical structure, C16H17NO3S, CAS 109904-28-1
Methyl (2-oxo-2,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)(phenyl)acetate
CAS 109904-28-1C16H17NO3S
2-Oxo clopidogrel carboxylic acid(mixture of diastereomers) chemical structure, C15H14ClNO3S, CAS 109904-36-1
2-Oxo clopidogrel carboxylic acid(mixture of diastereomers)
CAS 109904-36-1C15H14ClNO3S
2-Oxo ticlopidine oxalic acid salt chemical structure, C16H16ClNO5S, CAS 89481-79-8
2-Oxo ticlopidine oxalic acid salt
CAS 89481-79-8C16H16ClNO5S
(4S)-2-Oxoclopidogrel chemical structure, C16H16ClNO3S, CAS 1416696-44-0
(4S)-2-Oxoclopidogrel
CAS 1416696-44-0C16H16ClNO3S
2-Oxo clopidogrel hydrochloride chemical structure, C16H17Cl2NO3S, CAS 1219432-42-4
2-Oxo clopidogrel hydrochloride
CAS 1219432-42-4C16H17Cl2NO3S
2-Oxo-clopidogrel chemical structure, C16H16ClNO3S, CAS 1147350-75-1
2-Oxo-clopidogrel
CAS 1147350-75-1C16H16ClNO3S
Clopidogrel impurity 86 chemical structure, C16H16ClNO3S, CAS 1360923-54-1
Clopidogrel impurity 86
CAS 1360923-54-1C16H16ClNO3S
2-Oxo-clopidogrel, (alphaS,7aR)- chemical structure, C16H16ClNO3S, CAS 1416696-48-4
2-Oxo-clopidogrel, (alphaS,7aR)-
CAS 1416696-48-4C16H16ClNO3S
2-Oxo ticlopidine-d4 chemical structure, C14H14ClNOS, CAS 1276575-37-1
2-Oxo ticlopidine-d4
CAS 1276575-37-1C14H14ClNOS
alpha-(2-Chlorophenyl)-2,6,7,7a-tetrahydro-2-oxo-thieno[3,2-c]pyridine-5(4H)-acetic Acid Methyl Ester-13C,d3 Hydrochloride chemical structure, C16H17Cl2NO3S, CAS 1794713-84-0
alpha-(2-Chlorophenyl)-2,6,7,7a-tetrahydro-2-oxo-thieno[3,2-c]pyridine-5(4H)-acetic Acid Methyl Ester-13C,d3 Hydrochloride
CAS 1794713-84-0C16H17Cl2NO3S
5-(5-Chloro-1-(2-fluorophenyl)-2-oxopentyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one chemical structure, C18H19ClFNO2S, CAS 1618107-95-1
5-(5-Chloro-1-(2-fluorophenyl)-2-oxopentyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one
CAS 1618107-95-1C18H19ClFNO2S