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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 97 to 144 of 209 chemicals

1-Amino-6-nitrobenzo(a)pyrene chemical structure, C20H12N2O2, CAS 132482-43-0
1-Amino-6-nitrobenzo(a)pyrene
CAS 132482-43-0C20H12N2O2
Benzo(a)pyrene, 3-hydroxy-, sulfate chemical structure, C20H12O4S, CAS 61996-71-2
Benzo(a)pyrene, 3-hydroxy-, sulfate
CAS 61996-71-2C20H12O4S
6-Ethylbenzo(a)pyrene chemical structure, C22H16, CAS 78694-66-3
6-Ethylbenzo(a)pyrene
CAS 78694-66-3C22H16
Benzo(a)pyrene-6-ethanol chemical structure, C22H16O, CAS 105708-69-8
Benzo(a)pyrene-6-ethanol
CAS 105708-69-8C22H16O
6-(2-Bromoethyl)benzo(a)pyrene chemical structure, C22H15Br, CAS 105708-70-1
6-(2-Bromoethyl)benzo(a)pyrene
CAS 105708-70-1C22H15Br
Benzo(a)pyrene-6-ethanol, acetate chemical structure, C24H18O2, CAS 105708-71-2
Benzo(a)pyrene-6-ethanol, acetate
CAS 105708-71-2C24H18O2
Benzo(a)pyrenyl-9-sulfate chemical structure, C20H12O4S, CAS 63785-41-1
Benzo(a)pyrenyl-9-sulfate
CAS 63785-41-1C20H12O4S
Benzo(a)pyrene-7-sulfate chemical structure, C20H12O4S, CAS 63785-42-2
Benzo(a)pyrene-7-sulfate
CAS 63785-42-2C20H12O4S
Benzo(a)pyrene, 7,8-dimethyl- chemical structure, C22H16, CAS 82859-54-9
Benzo(a)pyrene, 7,8-dimethyl-
CAS 82859-54-9C22H16
Benzo(a)pyrene, 1-(chloromethyl)- chemical structure, C21H13Cl, CAS 100757-60-6
Benzo(a)pyrene, 1-(chloromethyl)-
CAS 100757-60-6C21H13Cl
1-Nitrosobenzo(a)pyrene chemical structure, C20H11NO, CAS 114882-46-1
1-Nitrosobenzo(a)pyrene
CAS 114882-46-1C20H11NO
4,5,7-Trimethylbenzo(a)pyrene chemical structure, C23H18, CAS 72496-73-2
4,5,7-Trimethylbenzo(a)pyrene
CAS 72496-73-2C23H18
Benzo(a)pyrene, 2-nitro- chemical structure, C20H11NO2, CAS 138542-40-2
Benzo(a)pyrene, 2-nitro-
CAS 138542-40-2C20H11NO2
6-Isothiocyanatobenzo[a]pyrene chemical structure, C21H11NS, CAS 152832-13-8
6-Isothiocyanatobenzo[a]pyrene
CAS 152832-13-8C21H11NS
Benzo(2)pyrene, 1-(1,1-dimethylethyl)- chemical structure, C24H20, CAS 80484-51-1
Benzo(2)pyrene, 1-(1,1-dimethylethyl)-
CAS 80484-51-1C24H20
6-Oxybenzo(a)pyrene chemical structure, C20H11O, CAS 20928-82-9
6-Oxybenzo(a)pyrene
CAS 20928-82-9C20H11O
1-Fluorobenzo(a)pyrene chemical structure, C20H11F, CAS 150765-66-5
1-Fluorobenzo(a)pyrene
CAS 150765-66-5C20H11F
3-Fluorobenzo(a)pyrene chemical structure, C20H11F, CAS 150765-69-8
3-Fluorobenzo(a)pyrene
CAS 150765-69-8C20H11F
5-Nitrobenzo(a)pyrene chemical structure, C20H11NO2, CAS 24027-83-6
5-Nitrobenzo(a)pyrene
CAS 24027-83-6C20H11NO2
Benzo(a)pyrene-1-methanol chemical structure, C21H14O, CAS 86072-96-0
Benzo(a)pyrene-1-methanol
CAS 86072-96-0C21H14O
Benzo(a)pyrene-4-methanol chemical structure, C21H14O, CAS 86073-01-0
Benzo(a)pyrene-4-methanol
CAS 86073-01-0C21H14O
Benzo(a)pyrene-10-methanol chemical structure, C21H14O, CAS 86803-18-1
Benzo(a)pyrene-10-methanol
CAS 86803-18-1C21H14O
Benzo(a)pyrene-6-methanol, 10-methyl- chemical structure, C22H16O, CAS 87237-62-5
Benzo(a)pyrene-6-methanol, 10-methyl-
CAS 87237-62-5C22H16O
Benzo(a)pyren-5-amine chemical structure, C20H13N, CAS 16602-35-0
Benzo(a)pyren-5-amine
CAS 16602-35-0C20H13N