Murcko scaffold
Ring system with 4 rings and 15 atoms
83 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 15
- Chemicals
- 83
- With full pages
- 10
Scaffold SMILES
O=C1C=CC(=O)C2=C1CC1C3NC3CN21
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.
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 83 chemicals
Mitomycin C
CAS 50-07-7C15H18N4O5
Porfiromycin
CAS 801-52-5C16H20N4O5
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-amino-1-heptanoyl-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)
CAS 4049-07-4C22H30N4O6
Mitomycin A
CAS 4055-39-4C16H19N3O6
Mitomycin B
CAS 4055-40-7C16H19N3O6
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-amino-8-(hydroxymethyl)-8a-methoxy-5-methyl-1-methylsulfonyl-, carbamate
CAS 5091-31-6C16H20N4O7S
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(butylamino)-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)
CAS 14769-01-8C19H26N4O5
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-amino-1-butyl-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)
CAS 16032-73-8C19H26N4O5
![[(8S,8aR)-8a-Methoxy-5-methyl-4,7-dioxo-6-(propylamino)-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate chemical structure, C18H24N4O5, CAS 16032-94-3](/s/MFUIQIIDSGSITA-VFRLWORRSA-N.svg)
[(8S,8aR)-8a-Methoxy-5-methyl-4,7-dioxo-6-(propylamino)-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
CAS 16032-94-3C18H24N4O5
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-amino-1-(chloroacetyl)-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)
CAS 18341-86-1C17H19ClN4O6
Demethoxymitomycin A
CAS 38202-60-7C15H17N3O5
7-Heptyloxy-7-demethoxymitomycin A
CAS 56981-66-9C22H31N3O6
7-Hexyloxy-7-demethoxymitomycin A
CAS 56981-78-3C21H29N3O6
7-Decyloxy-7-demethoxymitomycin A
CAS 76079-89-5C25H37N3O6
7-i-Propoxy-7-demethoxymitomycin B
CAS 99901-08-3C19H25N3O6
Mitomycin derivative T 38
CAS 27066-48-4C17H22N4O6
N6-2-Propynylmitomycin C
CAS 78142-79-7C18H20N4O5
Mitomycin derivative T 41
CAS 16908-75-1C16H20N4O5
KW 2149
CAS 118359-59-4C24H34N6O8S2
7-Cysteaminomitosane
CAS 83586-81-6C17H22N4O5S
Mitomycin phosphate
CAS 124580-38-7C17H23N4O9P
7-N-(N',N'-Dimethylaminomethylene)aminoporfiromycin
CAS 88949-02-4C19H25N5O5
N(6)-3-Hydroxypropylmitomycin C
CAS 78142-86-6C18H24N4O6
Mitomycin F
CAS 18209-14-8C17H21N3O6
- Nonyloxycarbonyl mitomycin C88700-51-0C25H36N4O7
- 1,1a,2,4,7 ,8,8a,8b-Octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino(2',3':3,4)pyrrolo(1,2-a)indol-6-yl)aminomethylene-N-methylmethanaminium114836-85-0C18H24N5O5+
- 9-Epimitomycin B13164-90-4C16H19N3O6
- Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a-alpha,8b-hexahydro-6-amino-1,5-dimethyl-8-(hydroxymethyl)-, carbamate (ester)32633-48-0C15H18N4O4
- Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a-alpha,8b-hexahydro-1,5-dimethyl-8-(hydroxymethyl)-6-methoxy-, carbamate (ester)32633-50-4C16H19N3O5
- Mitomycin C methylamine27066-44-0C16H20N4O5
- Mitomycin derivative T 20C15H18N4O5
- Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-(propylamino)-,(1aS,8S,8aR,8bS)-16910-79-5C18H24N4O5
- [(4R,6R,7S,8R)-11-Amino-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl N-(2-hydroxyethyl)carbamate41515-28-0C18H24N4O6
- [(4R,6R,7S,8R)-11-Amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl N-methylcarbamate41515-32-6C16H20N4O5
- [(4R,6R,7S,8R)-11-(3-Hydroxypropylamino)-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate78142-87-7C19H26N4O6
- [(4R,6R,7S,8R)-11-(2,2-Dimethoxyethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate83586-80-5C19H26N4O7
- [(4R,6R,7S,8R)-7-Methoxy-5,12-dimethyl-10,13-dioxo-11-(prop-2-ynylamino)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate78142-80-0C19H22N4O5
- [(4R,6R,7S,8R)-11-(2-Ethylsulfanylethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate83586-83-8C19H26N4O5S
- [(4R,6R,7S,8R)-7-Methoxy-11-(2-methoxyethylamino)-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate83586-79-2C18H24N4O6
- [(4R,6R,7S,8R)-11-(2-Cyanoethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate83586-85-0C18H21N5O5
- [(4R,6R,7S,8R)-11-(2-Ethylsulfanylethylamino)-7-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate83586-84-9C20H28N4O5S
- [(4R,6R,7S,8R)-11-(2-Aminoethylamino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate83586-86-1C17H23N5O5
- [(4R,6R,8R)-11-[2-(Dimethylamino)ethyl-methylamino]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate86689-60-3C20H29N5O5
- 9-Epimitomycin D79026-43-0C15H18N4O5
- Mitomycin E74707-94-1C16H20N4O5
- 7-N-Dimethylaminomethylenemitomycin D105551-80-2C18H23N5O5
- 9-Epi-7-N-dimethylaminomethylenemitomycin D105616-81-7C18H23N5O5
- 10-O-Decarbamoyl-10-O-methanesulfonylmitomycin C129784-04-9C15H19N3O6S
Related scaffolds
Same ring framework with different atoms or bond orders
