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Murcko scaffold

Ring system with 4 rings and 22 atoms

311 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 22
Chemicals: 311
With full pages: 56

Scaffold SMILES

O=C1CCCC2=C1C(c1ccccc1)Nc1ccccc1N2

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=C1CCCC2=C1C(c1ccccc1)Nc1ccccc1N2

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 48 of 311 chemicals

3-Chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one chemical structure, C21H21ClN2O, CAS 39222-68-9

3-Chloro-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

CAS 39222-68-9C₂₁H₂₁ClN₂O

3,3-Dimethyl-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one chemical structure, C21H22N2O, CAS 37587-36-3

3,3-Dimethyl-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

CAS 37587-36-3C₂₁H₂₂N₂O

9,9-Dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one chemical structure, C21H21N3O3, CAS 82408-04-6

9,9-Dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

CAS 82408-04-6C₂₁H₂₁N₃O₃

10-Acetyl-11-(2-chlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one chemical structure, C23H23ClN2O2, CAS 149774-79-8

10-Acetyl-11-(2-chlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one

CAS 149774-79-8C₂₃H₂₃ClN₂O₂

6-(2,4-Dimethoxyphenyl)-9,9-dimethyl-5-propanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C26H30N2O4, CAS 354545-20-3

6-(2,4-Dimethoxyphenyl)-9,9-dimethyl-5-propanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

CAS 354545-20-3C₂₆H₃₀N₂O₄

6-(4-Bromophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one chemical structure, C21H21BrN2O, CAS 82408-00-2

6-(4-Bromophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

CAS 82408-00-2C₂₁H₂₁BrN₂O

6-[4-(Diethylamino)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one chemical structure, C25H31N3O, CAS 329206-30-6

6-[4-(Diethylamino)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

CAS 329206-30-6C₂₅H₃₁N₃O

11-(4-Methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one chemical structure, C22H24N2O2, CAS 82408-02-4

11-(4-Methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

CAS 82408-02-4C₂₂H₂₄N₂O₂

9,9-Dimethyl-6-(3-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one chemical structure, C21H21N3O3, CAS 145628-71-3

9,9-Dimethyl-6-(3-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

CAS 145628-71-3C₂₁H₂₁N₃O₃

6-(3,4-Dimethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one chemical structure, C23H26N2O3, CAS 362001-43-2

6-(3,4-Dimethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

CAS 362001-43-2C₂₃H₂₆N₂O₃

11-(2,4-Dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-3,3-dimethyl-1H-dibenzo(b,e)(1,4)diazepin-1-one chemical structure, C23H26N2O3, CAS 329206-32-8

11-(2,4-Dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-3,3-dimethyl-1H-dibenzo(b,e)(1,4)diazepin-1-one

CAS 329206-32-8C₂₃H₂₆N₂O₃

Cds1_004056 chemical structure, C22H24N2O3, CAS 5325-98-4

CAS 5325-98-4C₂₂H₂₄N₂O₃

6-(2-Hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one chemical structure, C21H22N2O2, CAS 82408-11-5

6-(2-Hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

CAS 82408-11-5C₂₁H₂₂N₂O₂

11-(2-Fluorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one chemical structure, C21H21FN2O, CAS 336177-42-5

11-(2-Fluorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

CAS 336177-42-5C₂₁H₂₁FN₂O

5-Acetyl-6-(4-dimethylaminophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C25H29N3O2, CAS 418803-30-2

5-Acetyl-6-(4-dimethylaminophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

CAS 418803-30-2C₂₅H₂₉N₃O₂

11-(4-Ethoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one chemical structure, C23H26N2O2, CAS 354540-36-6

11-(4-Ethoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

CAS 354540-36-6C₂₃H₂₆N₂O₂

5-Acetyl-6-(4-chlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C23H23ClN2O2, CAS 149774-81-2

5-Acetyl-6-(4-chlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

CAS 149774-81-2C₂₃H₂₃ClN₂O₂

9,9-Dimethyl-6-(4-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C23H20F3N3O4, CAS 312621-16-2

9,9-Dimethyl-6-(4-nitrophenyl)-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

CAS 312621-16-2C₂₃H₂₀F₃N₃O₄

5-Acetyl-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C25H28N2O4, CAS 354543-64-9

5-Acetyl-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

CAS 354543-64-9C₂₅H₂₈N₂O₄

6-(4-Methoxyphenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C24H23F3N2O3, CAS 353775-66-3

6-(4-Methoxyphenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

CAS 353775-66-3C₂₄H₂₃F₃N₂O₃

6-[4-(Diethylamino)phenyl]-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C27H30F3N3O2, CAS 353775-64-1

6-[4-(Diethylamino)phenyl]-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

CAS 353775-64-1C₂₇H₃₀F₃N₃O₂

6-(2-Fluorophenyl)-9,9-dimethyl-5-(2-methylpropanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C25H27FN2O2, CAS 354542-90-8

6-(2-Fluorophenyl)-9,9-dimethyl-5-(2-methylpropanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

CAS 354542-90-8C₂₅H₂₇FN₂O₂

6-(2-Fluorophenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C23H20F4N2O2, CAS 353471-39-3

6-(2-Fluorophenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

CAS 353471-39-3C₂₃H₂₀F₄N₂O₂

5-Acetyl-9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C23H23N3O4, CAS 149774-83-4

5-Acetyl-9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

CAS 149774-83-4C₂₃H₂₃N₃O₄