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Murcko scaffold

Benzo[a]pyrene scaffold

209 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
20
Chemicals
209
With full pages
41
Scaffold SMILES

c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34

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 Benzo[a]pyrene page
Murcko scaffold c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34

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 49 to 96 of 209 chemicals

6-Sulfooxymethylbenzo(a)pyrene chemical structure, C21H14O4S, CAS 71839-05-9
6-Sulfooxymethylbenzo(a)pyrene
CAS 71839-05-9C21H14O4S
1-Nitrobenzo(a)pyrene chemical structure, C20H11NO2, CAS 70021-99-7
1-Nitrobenzo(a)pyrene
CAS 70021-99-7C20H11NO2
3-Nitrobenzo(a)pyrene chemical structure, C20H11NO2, CAS 70021-98-6
3-Nitrobenzo(a)pyrene
CAS 70021-98-6C20H11NO2
9-Methylbenzo[a]pyrene chemical structure, C21H14, CAS 70644-19-8
9-Methylbenzo[a]pyrene
CAS 70644-19-8C21H14
8-Fluorobenzo(a)pyrene chemical structure, C20H11F, CAS 71171-92-1
8-Fluorobenzo(a)pyrene
CAS 71171-92-1C20H11F
9-Fluorobenzo(a)pyrene chemical structure, C20H11F, CAS 71171-93-2
9-Fluorobenzo(a)pyrene
CAS 71171-93-2C20H11F
7-Fluorobenzo(a)pyrene chemical structure, C20H11F, CAS 71511-38-1
7-Fluorobenzo(a)pyrene
CAS 71511-38-1C20H11F
BENZO(a)PYRENE-7,8-DIOL, DIACETATE (ester), (E)- chemical structure, C24H16O4, CAS 73785-34-9
BENZO(a)PYRENE-7,8-DIOL, DIACETATE (ester), (E)-
CAS 73785-34-9C24H16O4
10-Fluorobenzo(a)pyrene chemical structure, C20H11F, CAS 74018-58-9
10-Fluorobenzo(a)pyrene
CAS 74018-58-9C20H11F
4-Nitrobenzo[a]pyren-1-ol chemical structure, C20H11NO3, CAS 82039-09-6
4-Nitrobenzo[a]pyren-1-ol
CAS 82039-09-6C20H11NO3
Benzo(a)pyren-1-ol, 6-nitro- chemical structure, C20H11NO3, CAS 82039-10-9
Benzo(a)pyren-1-ol, 6-nitro-
CAS 82039-10-9C20H11NO3
4-Aminobenzo(a)pyrene chemical structure, C20H13N, CAS 82507-21-9
4-Aminobenzo(a)pyrene
CAS 82507-21-9C20H13N
11-Aminobenzo(a)pyrene chemical structure, C20H13N, CAS 82507-22-0
11-Aminobenzo(a)pyrene
CAS 82507-22-0C20H13N
12-Aminobenzo(a)pyrene chemical structure, C20H13N, CAS 82507-23-1
12-Aminobenzo(a)pyrene
CAS 82507-23-1C20H13N
Benzo(a)pyrene, 10-(chloromethyl)- chemical structure, C21H13Cl, CAS 86803-19-2
Benzo(a)pyrene, 10-(chloromethyl)-
CAS 86803-19-2C21H13Cl
12-Chloromethylbenzo(a)pyrene chemical structure, C21H13Cl, CAS 94500-44-4
12-Chloromethylbenzo(a)pyrene
CAS 94500-44-4C21H13Cl
Benzo(a)pyrene, 4-(chloromethyl)- chemical structure, C21H13Cl, CAS 94500-46-6
Benzo(a)pyrene, 4-(chloromethyl)-
CAS 94500-46-6C21H13Cl
11-Chloromethylbenzo(a)pyrene chemical structure, C21H13Cl, CAS 94500-54-6
11-Chloromethylbenzo(a)pyrene
CAS 94500-54-6C21H13Cl
1,6-Dinitrobenzo(a)pyrene chemical structure, C20H10N2O4, CAS 128714-75-0
1,6-Dinitrobenzo(a)pyrene
CAS 128714-75-0C20H10N2O4
3,6-Dinitrobenzopyrene chemical structure, C20H10N2O4, CAS 128714-76-1
3,6-Dinitrobenzopyrene
CAS 128714-76-1C20H10N2O4
4-Methoxybenzo(a)pyrene chemical structure, C21H14O, CAS 56182-99-1
4-Methoxybenzo(a)pyrene
CAS 56182-99-1C21H14O
5-Methoxybenzo[pqr]tetraphene chemical structure, C21H14O, CAS 56183-00-7
5-Methoxybenzo[pqr]tetraphene
CAS 56183-00-7C21H14O
6-Fluorobenzo(a)pyrene chemical structure, C20H11F, CAS 59417-86-6
6-Fluorobenzo(a)pyrene
CAS 59417-86-6C20H11F
Benzo[a]pyrene-9,10-diol chemical structure, C20H12O2, CAS 57303-98-7
Benzo[a]pyrene-9,10-diol
CAS 57303-98-7C20H12O2