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Murcko scaffold

Ring system with 4 rings and 25 atoms

12 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
12
With full pages
1
Scaffold SMILES

O=C(C=Cc1ccc(-c2ccccc2)o1)Nc1cc2c(s1)CCCC2

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(C=Cc1ccc(-c2ccccc2)o1)Nc1cc2c(s1)CCCC2

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

Ethyl 2-[2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C25H22N2O4S, CAS 303794-02-7
Ethyl 2-[2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 303794-02-7C25H22N2O4S
(Z)-2-(2-Cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide chemical structure, C23H17Cl2N3O3S, CAS 1321662-79-6
(Z)-2-(2-Cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CAS 1321662-79-6C23H17Cl2N3O3S
(Z)-2-(2-Cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide chemical structure, C24H18F3N3O3S, CAS 301338-14-7
(Z)-2-(2-Cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CAS 301338-14-7C24H18F3N3O3S
(E)-Methyl 2-(2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C24H19FN2O4S, CAS 463351-17-9
(E)-Methyl 2-(2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 463351-17-9C24H19FN2O4S
Ethyl 2-(((2E)-2-cyano-3-(5-(3-(trifluoromethyl)phenyl)-2-furyl)-2-propenoyl)A mino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C26H21F3N2O4S, CAS 308096-48-2
Ethyl 2-(((2E)-2-cyano-3-(5-(3-(trifluoromethyl)phenyl)-2-furyl)-2-propenoyl)A mino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 308096-48-2C26H21F3N2O4S
(E)-Ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate chemical structure, C26H23N3O5S, CAS 380434-78-6
(E)-Ethyl 4-(5-(3-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate
CAS 380434-78-6C26H23N3O5S
Ethyl 2-({(2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C25H21ClN2O4S, CAS 301312-38-9
Ethyl 2-({(2E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 301312-38-9C25H21ClN2O4S
(E)-Methyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate chemical structure, C24H19N3O6S, CAS 468748-93-8
(E)-Methyl 2-(2-cyano-3-(5-(4-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS 468748-93-8C24H19N3O6S
(E)-2-(2-Cyano-3-(5-(2-fluorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide chemical structure, C23H18FN3O3S, CAS 868154-51-2
(E)-2-(2-Cyano-3-(5-(2-fluorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CAS 868154-51-2C23H18FN3O3S
(E)-2-(2-Cyano-3-(5-(3-fluorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide chemical structure, C23H18FN3O3S, CAS 868154-52-3
(E)-2-(2-Cyano-3-(5-(3-fluorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CAS 868154-52-3C23H18FN3O3S
(E)-2-(2-Cyano-3-(5-(4-methyl-2-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide chemical structure, C24H20N4O5S, CAS 868154-53-4
(E)-2-(2-Cyano-3-(5-(4-methyl-2-nitrophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CAS 868154-53-4C24H20N4O5S
Ethyl 2-[[(E)-2-cyano-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C26H22F2N2O4S2, CAS 326916-68-1
Ethyl 2-[[(E)-2-cyano-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 326916-68-1C26H22F2N2O4S2