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Murcko scaffold

5-Isoquinolinesulfonamide, N-[2-[(3-phenyl-2-propenyl)amino]ethyl]- scaffold

11 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
26
Chemicals
11
With full pages
2
Scaffold SMILES

O=S(=O)(NCCNCC=Cc1ccccc1)c1cccc2cnccc12

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 scaffoldOpen the 5-Isoquinolinesulfonamide, N-[2-[(3-phenyl-2-propenyl)amino]ethyl]- page
Murcko scaffold O=S(=O)(NCCNCC=Cc1ccccc1)c1cccc2cnccc12

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

Protein kinase inhibitor H89 chemical structure, C20H20BrN3O2S, CAS 127243-85-0
Protein kinase inhibitor H89
CAS 127243-85-0C20H20BrN3O2S
5-Isoquinolinesulfonamide, N-[2-[(3-phenyl-2-propenyl)amino]ethyl]- chemical structure, C20H21N3O2S
5-Isoquinolinesulfonamide, N-[2-[(3-phenyl-2-propenyl)amino]ethyl]-
C20H21N3O2S
H-89 Dihydrochloride chemical structure, C20H22BrCl2N3O2S, CAS 130964-39-5
H-89 Dihydrochloride
CAS 130964-39-5C20H22BrCl2N3O2S
N-[2-(p-Cinnamylamino)ethyl]-5-isoquinolone Sulfonamide chemical structure, C20H21N3O2S, CAS 130964-40-8
N-[2-(p-Cinnamylamino)ethyl]-5-isoquinolone Sulfonamide
CAS 130964-40-8C20H21N3O2S
N-(2-(N-Formyl-N-(3-(4-chlorophenyl)-2-propenyl)amino)ethyl)-5-isoquinolinesulfonamide chemical structure, C21H20ClN3O3S, CAS 130964-32-8
N-(2-(N-Formyl-N-(3-(4-chlorophenyl)-2-propenyl)amino)ethyl)-5-isoquinolinesulfonamide
CAS 130964-32-8C21H20ClN3O3S
5-Isoquinolinesulfonamide, N-(2-aminoethyl)-N-(2-((3-(4-chlorophenyl)-2-propenyl)amino)ethyl)- chemical structure, C22H25ClN4O2S, CAS 143306-00-7
5-Isoquinolinesulfonamide, N-(2-aminoethyl)-N-(2-((3-(4-chlorophenyl)-2-propenyl)amino)ethyl)-
CAS 143306-00-7C22H25ClN4O2S
N-(2-((4-(4-Chlorophenyl)but-3-en-2-yl)amino)ethyl)isoquinoline-5-sulfonamide chemical structure, C21H22ClN3O2S
N-(2-((4-(4-Chlorophenyl)but-3-en-2-yl)amino)ethyl)isoquinoline-5-sulfonamide
C21H22ClN3O2S
(E)-N-(2-((3-(4-Bromophenyl)allyl)amino)ethyl)isoquinoline-5-sulfonamide dihydrochloride hydrate chemical structure, C20H24BrCl2N3O3S, CAS 1049740-55-7
(E)-N-(2-((3-(4-Bromophenyl)allyl)amino)ethyl)isoquinoline-5-sulfonamide dihydrochloride hydrate
CAS 1049740-55-7C20H24BrCl2N3O3S
Etb067 chemical structure, C21H22BrN3O2S, CAS 1000995-79-8
Etb067
CAS 1000995-79-8C21H22BrN3O2S
N-[2-[4-(4-Chlorophenyl)but-3-en-2-ylamino]ethyl]isoquinoline-5-sulfonamide chemical structure, C21H22ClN3O2S, CAS 130964-43-1
N-[2-[4-(4-Chlorophenyl)but-3-en-2-ylamino]ethyl]isoquinoline-5-sulfonamide
CAS 130964-43-1C21H22ClN3O2S
5-Isoquinolinesulfonamide, N-[2-[(3-phenyl-2-propen-1-yl)amino]ethyl]-, (2E)-2-butenedioate (2:1) chemical structure, C44H46N6O8S2, CAS 130964-41-9
5-Isoquinolinesulfonamide, N-[2-[(3-phenyl-2-propen-1-yl)amino]ethyl]-, (2E)-2-butenedioate (2:1)
CAS 130964-41-9C44H46N6O8S2