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Murcko scaffold

Ring system with 2 rings and 13 atoms

21 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
13
Chemicals
21
With full pages
8
Scaffold SMILES

C1=CC(c2ccccc2)=NCCN1

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 C1=CC(c2ccccc2)=NCCN1

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 21 of 21 chemicals

1H-1,4-Diazepine-7-carboxylic acid, 2,3-dihydro-5-(2-hydroxyphenyl)- chemical structure, C12H12N2O3, CAS 89221-22-7
1H-1,4-Diazepine-7-carboxylic acid, 2,3-dihydro-5-(2-hydroxyphenyl)-
CAS 89221-22-7C12H12N2O3
2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol chemical structure, C12H11F3N2O, CAS 6005-45-4
2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
CAS 6005-45-4C12H11F3N2O
5-Phenyl-7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepine chemical structure, C13H12F4N2, CAS 77855-10-8
5-Phenyl-7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepine
CAS 77855-10-8C13H12F4N2
4-Methoxy-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol chemical structure, C14H14F4N2O2, CAS 242460-43-1
4-Methoxy-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
CAS 242460-43-1C14H14F4N2O2
4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol chemical structure, C13H11ClF4N2O, CAS 242460-44-2
4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
CAS 242460-44-2C13H11ClF4N2O
5-(4-Bromophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine chemical structure, C12H10BrF3N2, CAS 189756-39-6
5-(4-Bromophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
CAS 189756-39-6C12H10BrF3N2
4-Methyl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol chemical structure, C13H13F3N2O, CAS 240417-94-1
4-Methyl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
CAS 240417-94-1C13H13F3N2O
4-Methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol chemical structure, C13H13F3N2O2, CAS 240417-95-2
4-Methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
CAS 240417-95-2C13H13F3N2O2
4-Chloro-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol chemical structure, C12H10ClF3N2O, CAS 240417-97-4
4-Chloro-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
CAS 240417-97-4C12H10ClF3N2O
2-[7-(1,1,2,2-Tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol chemical structure, C13H12F4N2O, CAS 240418-03-5
2-[7-(1,1,2,2-Tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
CAS 240418-03-5C13H12F4N2O
4-Methyl-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol chemical structure, C14H14F4N2O, CAS 242460-42-0
4-Methyl-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
CAS 242460-42-0C14H14F4N2O
5-Phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine chemical structure, C12H11F3N2, CAS 77855-08-4
5-Phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
CAS 77855-08-4C12H11F3N2
5-(4-Chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine chemical structure, C12H10ClF3N2, CAS 109541-38-0
5-(4-Chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
CAS 109541-38-0C12H10ClF3N2
5-(4-Methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine chemical structure, C13H13F3N2, CAS 109541-37-9
5-(4-Methylphenyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
CAS 109541-37-9C13H13F3N2
1H-1,4-Diazepine-7-carboxylic acid, 2,3-dihydro-5-(2-hydroxy-5-nitrophenyl)- chemical structure, C12H11N3O5, CAS 90380-30-6
1H-1,4-Diazepine-7-carboxylic acid, 2,3-dihydro-5-(2-hydroxy-5-nitrophenyl)-
CAS 90380-30-6C12H11N3O5
1H-1,4-Diazepine-7-carboxylic acid, 2,3-dihydro-5-(2-hydroxyphenyl)-1-methyl- chemical structure, C13H14N2O3, CAS 89221-24-9
1H-1,4-Diazepine-7-carboxylic acid, 2,3-dihydro-5-(2-hydroxyphenyl)-1-methyl-
CAS 89221-24-9C13H14N2O3
6-(7-Methyl-1,2,3,4-tetrahydro-5H-1,4-diazepin-5-ylidene)cyclohexa-2,4-dien-1-one chemical structure, C12H14N2O, CAS 90380-33-9
6-(7-Methyl-1,2,3,4-tetrahydro-5H-1,4-diazepin-5-ylidene)cyclohexa-2,4-dien-1-one
CAS 90380-33-9C12H14N2O
2-[7-Difluoromethyl-2,3-dihydro-1H-1,4-diazepine-5-yl]-4-methoxyphenol chemical structure, C13H14F2N2O2, CAS 240418-06-8
2-[7-Difluoromethyl-2,3-dihydro-1H-1,4-diazepine-5-yl]-4-methoxyphenol
CAS 240418-06-8C13H14F2N2O2
2-(2,3-Dihydro-7-trifluoromethyl-1H-1,4-diazepine-5-yl)-5-methoxyphenol chemical structure, C13H13F3N2O2, CAS 240417-96-3
2-(2,3-Dihydro-7-trifluoromethyl-1H-1,4-diazepine-5-yl)-5-methoxyphenol
CAS 240417-96-3C13H13F3N2O2
2-[7-(Difluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]-5-methoxy-phenol chemical structure, C13H14F2N2O2, CAS 1271474-46-4
2-[7-(Difluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]-5-methoxy-phenol
CAS 1271474-46-4C13H14F2N2O2
2-[7-Difluoromethyl-2,3-dihydro-1H-1,4-diazepine-5-yl]phenol chemical structure, C12H12F2N2O, CAS 240418-05-7
2-[7-Difluoromethyl-2,3-dihydro-1H-1,4-diazepine-5-yl]phenol
CAS 240418-05-7C12H12F2N2O