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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 145 to 192 of 209 chemicals

Benzo(b)pyrene-6,12-diol chemical structure, C20H12O2, CAS 63148-08-3
Benzo(b)pyrene-6,12-diol
CAS 63148-08-3C20H12O2
6-(Bromomethyl-13C)benzo(a)pyrene chemical structure, C21H13Br, CAS 70682-35-8
6-(Bromomethyl-13C)benzo(a)pyrene
CAS 70682-35-8C21H13Br
N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine chemical structure, C26H21NO3S, CAS 70703-17-2
N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine
CAS 70703-17-2C26H21NO3S
Benzo(a)pyrene, 1,6-diethoxy- chemical structure, C24H20O2, CAS 74192-50-0
Benzo(a)pyrene, 1,6-diethoxy-
CAS 74192-50-0C24H20O2
(6-Methoxybenzo(a)pyren-3-yl) acetate chemical structure, C23H16O3, CAS 74192-53-3
(6-Methoxybenzo(a)pyren-3-yl) acetate
CAS 74192-53-3C23H16O3
6-Methoxybenzo(a)pyren-12-ol chemical structure, C21H14O2, CAS 74192-56-6
6-Methoxybenzo(a)pyren-12-ol
CAS 74192-56-6C21H14O2
6-Methoxybenzo(a)pyrene-1,3-diol chemical structure, C21H14O3, CAS 74192-59-9
6-Methoxybenzo(a)pyrene-1,3-diol
CAS 74192-59-9C21H14O3
6-Ethoxybenzo(a)pyren-1-ol chemical structure, C22H16O2, CAS 74192-62-4
6-Ethoxybenzo(a)pyren-1-ol
CAS 74192-62-4C22H16O2
Benzo(a)pyren-7-ylmethanol chemical structure, C21H14O, CAS 78636-32-5
Benzo(a)pyren-7-ylmethanol
CAS 78636-32-5C21H14O
Benzo(a)pyren-3-ol, 7-methyl- chemical structure, C21H14O, CAS 79418-83-0
Benzo(a)pyren-3-ol, 7-methyl-
CAS 79418-83-0C21H14O
Benzo(a)pyrene-7-methanol, 3-hydroxy- chemical structure, C21H14O2, CAS 79418-86-3
Benzo(a)pyrene-7-methanol, 3-hydroxy-
CAS 79418-86-3C21H14O2
Benzo(a)pyren-9-ol, 7-methyl- chemical structure, C21H14O, CAS 79418-87-4
Benzo(a)pyren-9-ol, 7-methyl-
CAS 79418-87-4C21H14O
9-tert-Butylbenzo[pqr]tetraphene chemical structure, C24H20, CAS 80484-55-5
9-tert-Butylbenzo[pqr]tetraphene
CAS 80484-55-5C24H20
Benzo(a)pyrene, 2,9-bis(1,1-dimethylethyl)- chemical structure, C28H28, CAS 80484-71-5
Benzo(a)pyrene, 2,9-bis(1,1-dimethylethyl)-
CAS 80484-71-5C28H28
Benzo(a)pyrene, 6-(iodomethyl)- chemical structure, C21H13I, CAS 53555-60-5
Benzo(a)pyrene, 6-(iodomethyl)-
CAS 53555-60-5C21H13I
Benzo(a)pyrene-6-methanol-13C chemical structure, C21H14O, CAS 62084-24-6
Benzo(a)pyrene-6-methanol-13C
CAS 62084-24-6C21H14O
Benzo(a)pyrenetetrol, tetraacetate chemical structure, C28H20O8, CAS 62586-45-2
Benzo(a)pyrenetetrol, tetraacetate
CAS 62586-45-2C28H20O8
Benzo(b)pyrene-1,6-diol chemical structure, C20H12O2, CAS 63148-09-4
Benzo(b)pyrene-1,6-diol
CAS 63148-09-4C20H12O2
N-(Benzo(pqr)tetraphen-6-ylmethyl)propan-1-amine chemical structure, C24H21N, CAS 70682-30-3
N-(Benzo(pqr)tetraphen-6-ylmethyl)propan-1-amine
CAS 70682-30-3C24H21N
Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride chemical structure, C27H28ClN, CAS 70682-31-4
Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride
CAS 70682-31-4C27H28ClN
6-(Azidomethyl)benzo[pqr]tetraphene chemical structure, C21H13N3, CAS 70682-33-6
6-(Azidomethyl)benzo[pqr]tetraphene
CAS 70682-33-6C21H13N3
Benzo(a)pyrene, 6,12-dimethoxy- chemical structure, C22H16O2, CAS 74192-49-7
Benzo(a)pyrene, 6,12-dimethoxy-
CAS 74192-49-7C22H16O2
(3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate chemical structure, C25H18O5, CAS 74192-51-1
(3-Acetyloxy-6-methoxybenzo(a)pyren-1-yl) acetate
CAS 74192-51-1C25H18O5
(6-Methoxybenzo(a)pyren-1-yl) acetate chemical structure, C23H16O3, CAS 74192-52-2
(6-Methoxybenzo(a)pyren-1-yl) acetate
CAS 74192-52-2C23H16O3