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Murcko scaffold

Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-phenyl-, hydrate scaffold

7 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
7
With full pages
5
Scaffold SMILES

O=C1NCC2=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 scaffoldOpen the Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-phenyl-, hydrate page
Murcko scaffold O=C1NCC2=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 7 of 7 chemicals

Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(4-bromophenyl)- chemical structure, C17H14BrN3O, CAS 137987-42-9
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(4-bromophenyl)-
CAS 137987-42-9C17H14BrN3O
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(3,4-dimethoxyphenyl)-, dihydrate chemical structure, C19H19N3O3, CAS 137987-38-3
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(3,4-dimethoxyphenyl)-, dihydrate
CAS 137987-38-3C19H19N3O3
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-phenyl-, hydrate chemical structure, C17H15N3O, CAS 137987-36-1
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-phenyl-, hydrate
CAS 137987-36-1C17H15N3O
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(4-methoxyphenyl)-, hemihydrate chemical structure, C18H17N3O2, CAS 137987-37-2
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(4-methoxyphenyl)-, hemihydrate
CAS 137987-37-2C18H17N3O2
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(2-hydroxyphenyl)- chemical structure, C17H15N3O2, CAS 137987-40-7
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(2-hydroxyphenyl)-
CAS 137987-40-7C17H15N3O2
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(4-hydroxyphenyl)- chemical structure, C17H15N3O2, CAS 137987-39-4
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(4-hydroxyphenyl)-
CAS 137987-39-4C17H15N3O2
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(4-hydroxy-3-methoxyphenyl)- chemical structure, C18H17N3O3, CAS 137987-41-8
Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(4-hydroxy-3-methoxyphenyl)-
CAS 137987-41-8C18H17N3O3