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Murcko scaffold

Ring system with 3 rings and 15 atoms

15 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
15
Chemicals
15
With full pages
3
Scaffold SMILES

O=C1c2ccccc2N=CC2CCCN12

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=C1c2ccccc2N=CC2CCCN12

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 15 of 15 chemicals

Neothramycins chemical structure, C13H14N2O4, CAS 67298-49-1
Neothramycins
CAS 67298-49-1C13H14N2O4
(3R,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one chemical structure, C13H14N2O4, CAS 59593-15-6
(3R,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
CAS 59593-15-6C13H14N2O4
Chicamycin B chemical structure, C13H14N2O4, CAS 89675-39-8
Chicamycin B
CAS 89675-39-8C13H14N2O4
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 3-butoxy-1,2,3,11a-tetrahydro-8-hydroxy-7-methoxy-, (3R-cis)- chemical structure, C17H22N2O4, CAS 63407-30-7
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 3-butoxy-1,2,3,11a-tetrahydro-8-hydroxy-7-methoxy-, (3R-cis)-
CAS 63407-30-7C17H22N2O4
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 3-butoxy-1,2,3,11a-tetrahydro-8-hydroxy-7-methoxy-, (3S-trans)- chemical structure, C17H22N2O4, CAS 63493-03-8
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 3-butoxy-1,2,3,11a-tetrahydro-8-hydroxy-7-methoxy-, (3S-trans)-
CAS 63493-03-8C17H22N2O4
Antibiotic DC 81 chemical structure, C13H14N2O3, CAS 81307-24-6
Antibiotic DC 81
CAS 81307-24-6C13H14N2O3
3-O-Methylneothramycin A chemical structure, C14H16N2O4, CAS 59593-12-3
3-O-Methylneothramycin A
CAS 59593-12-3C14H16N2O4
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,11a-tetrahydro-8-hydroxy-3,7-dimethoxy-, (3S-cis)- chemical structure, C14H16N2O4, CAS 59593-14-5
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,11a-tetrahydro-8-hydroxy-3,7-dimethoxy-, (3S-cis)-
CAS 59593-14-5C14H16N2O4
(3S,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one chemical structure, C13H14N2O4, CAS 59593-16-7
(3S,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
CAS 59593-16-7C13H14N2O4
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,11a-tetrahydro-, (S)- chemical structure, C12H12N2O, CAS 72435-89-3
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,11a-tetrahydro-, (S)-
CAS 72435-89-3C12H12N2O
1,2,3,11a-Tetrahydro-9-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one chemical structure, C13H14N2O, CAS 100231-11-6
1,2,3,11a-Tetrahydro-9-methyl-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
CAS 100231-11-6C13H14N2O
2-[(2-Methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]ethyl methanesulfonate chemical structure, C16H20N2O6S, CAS 143328-25-0
2-[(2-Methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]ethyl methanesulfonate
CAS 143328-25-0C16H20N2O6S
(7R)-13-Iodo-3,9-diazatricyclo[8.4.0.0(3),]tetradeca-1(14),8,10,12-tetraen-2-one chemical structure, C12H11IN2O, CAS 1638744-68-9
(7R)-13-Iodo-3,9-diazatricyclo[8.4.0.0(3),]tetradeca-1(14),8,10,12-tetraen-2-one
CAS 1638744-68-9C12H11IN2O
(S)-1,2,3,11a-Tetrahydro-9-hydroxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one chemical structure, C12H12N2O2, CAS 71444-83-2
(S)-1,2,3,11a-Tetrahydro-9-hydroxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
CAS 71444-83-2C12H12N2O2
(R)-7-Iodo-1,2,3,11a-tetrahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one chemical structure, C12H11IN2O
(R)-7-Iodo-1,2,3,11a-tetrahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one
C12H11IN2O