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Murcko scaffold

4,5-Dihydrobenzo(a)pyrene scaffold

17 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
20
Chemicals
17
With full pages
2
Scaffold SMILES

c1ccc2c(c1)cc1c3c2ccc2cccc(c23)CC1

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 4,5-Dihydrobenzo(a)pyrene page
Murcko scaffold c1ccc2c(c1)cc1c3c2ccc2cccc(c23)CC1

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 17 of 17 chemicals

4,5-Dihydro-4,5-dihydroxybenzo(a)pyrene chemical structure, C20H14O2, CAS 28622-84-6
4,5-Dihydro-4,5-dihydroxybenzo(a)pyrene
CAS 28622-84-6C20H14O2
trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol chemical structure, C20H14O2
trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol
C20H14O2
Benzo(a)pyrene-4,5-diol, 4,5-dihydro-, cis- chemical structure, C20H14O2, CAS 51689-89-5
Benzo(a)pyrene-4,5-diol, 4,5-dihydro-, cis-
CAS 51689-89-5C20H14O2
4,5-Dihydrobenzo(a)pyrene chemical structure, C20H14, CAS 57652-66-1
4,5-Dihydrobenzo(a)pyrene
CAS 57652-66-1C20H14
6-Nitro-4,5-dihydrobenzo(a)pyrene chemical structure, C20H13NO2, CAS 97931-39-0
6-Nitro-4,5-dihydrobenzo(a)pyrene
CAS 97931-39-0C20H13NO2
9-Methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene chemical structure, C21H16O3, CAS 87771-55-9
9-Methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene
CAS 87771-55-9C21H16O3
Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis- chemical structure, C24H17NO6, CAS 119056-58-5
Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-
CAS 119056-58-5C24H17NO6
Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis- chemical structure, C20H13NO4, CAS 119087-38-6
Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis-
CAS 119087-38-6C20H13NO4
trans-Benzo[a]pyrene-4,5-dihydrodiol chemical structure, C20H14O2, CAS 37571-88-3
trans-Benzo[a]pyrene-4,5-dihydrodiol
CAS 37571-88-3C20H14O2
Benzo(a)pyrene-4,4,5(5H)-triol chemical structure, C20H14O3, CAS 64414-72-8
Benzo(a)pyrene-4,4,5(5H)-triol
CAS 64414-72-8C20H14O3
(4S,5S)-7-Methyl-4,5-dihydrobenzo(a)pyrene-4,5-diol chemical structure, C21H16O2, CAS 79427-43-3
(4S,5S)-7-Methyl-4,5-dihydrobenzo(a)pyrene-4,5-diol
CAS 79427-43-3C21H16O2
(4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol chemical structure, C20H13FO2, CAS 88054-30-2
(4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol
CAS 88054-30-2C20H13FO2
(4R,5R)-9-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol chemical structure, C20H13FO2, CAS 88054-33-5
(4R,5R)-9-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol
CAS 88054-33-5C20H13FO2
Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis- chemical structure, C21H16O2, CAS 83516-23-8
Benzo(a)pyrene-4,5-diol, 4,5-dihydro-7-methyl-, cis-
CAS 83516-23-8C21H16O2
4,5-Dihydrobenzo(a)pyrene-4,5,9-triol chemical structure, C20H14O3, CAS 77774-37-9
4,5-Dihydrobenzo(a)pyrene-4,5,9-triol
CAS 77774-37-9C20H14O3
(4R,5R)-6-Bromo-4,5-dihydrobenzo(pqr)tetraphene-4,5-diol chemical structure, C20H13BrO2, CAS 84709-53-5
(4R,5R)-6-Bromo-4,5-dihydrobenzo(pqr)tetraphene-4,5-diol
CAS 84709-53-5C20H13BrO2
Benzo(a)pyrene-4,5-diol, 4,5-dihydro-, diacetate, cis- chemical structure, C24H18O4, CAS 56182-92-4
Benzo(a)pyrene-4,5-diol, 4,5-dihydro-, diacetate, cis-
CAS 56182-92-4C24H18O4