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Murcko scaffold

Ring system with 4 rings and 22 atoms

11 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
11
With full pages
2
Scaffold SMILES

c1cc(Cc2cc3ccccc3s2)cc(C2CCCCO2)c1

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 scaffold
Murcko scaffold c1cc(Cc2cc3ccccc3s2)cc(C2CCCCO2)c1

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 11 of 11 chemicals

(2S,3R,4R,5S,6R)-2-(3-(Benzo[b]thiophen-2-ylmethyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol chemical structure, C21H22O5S, CAS 761424-02-6
(2S,3R,4R,5S,6R)-2-(3-(Benzo[b]thiophen-2-ylmethyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CAS 761424-02-6C21H22O5S
Ipragliflozin chemical structure, C21H21FO5S, CAS 761423-87-4
Ipragliflozin
CAS 761423-87-4C21H21FO5S
Ipragliflozin L-proline chemical structure, C26H30FNO7S, CAS 951382-34-6
Ipragliflozin L-proline
CAS 951382-34-6C26H30FNO7S
(1S)-1,5-Anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol 2,3,4,6-tetraacetate chemical structure, C29H29FO9S, CAS 1034305-21-9
(1S)-1,5-Anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol 2,3,4,6-tetraacetate
CAS 1034305-21-9C29H29FO9S
Methyl 1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-alpha-D-glucopyranoside chemical structure, C22H23FO6S, CAS 1034305-23-1
Methyl 1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-alpha-D-glucopyranoside
CAS 1034305-23-1C22H23FO6S
(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)-2-(3-(benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triyl triacetate chemical structure, C30H31FO10S, CAS 1034305-27-5
(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)-2-(3-(benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triyl triacetate
CAS 1034305-27-5C30H31FO10S
[3,4,5-Triacetyloxy-6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methoxyoxan-2-yl]methyl acetate chemical structure, C30H31FO10S
[3,4,5-Triacetyloxy-6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methoxyoxan-2-yl]methyl acetate
C30H31FO10S
((2R,3S,4R,5R,6S)-6-(3-(Benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate chemical structure, C23H23FO6S, CAS 1888296-91-0
((2R,3S,4R,5R,6S)-6-(3-(Benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate
CAS 1888296-91-0C23H23FO6S
Ipragliflozin impurity 1 chemical structure, C21H21FO5S, CAS 2602662-34-8
Ipragliflozin impurity 1
CAS 2602662-34-8C21H21FO5S
Ipragliflozin-13C6 chemical structure, C21H21FO5S, CAS 2743031-48-1
Ipragliflozin-13C6
CAS 2743031-48-1C21H21FO5S
[(6S)-3,4,5-Triacetyloxy-6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methoxyoxan-2-yl]methyl acetate chemical structure, C30H31FO10S
[(6S)-3,4,5-Triacetyloxy-6-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-methoxyoxan-2-yl]methyl acetate
C30H31FO10S