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Murcko scaffold

Ring system with 7 rings and 38 atoms

10 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
38
Chemicals
10
With full pages
1
Scaffold SMILES

O=[PH]1OCC2OC(n3cnc4cncnc43)CC2O[PH](=S)OCC2CC(O1)C(n1cnc3cncnc31)O2

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 O=[PH]1OCC2OC(n3cnc4cncnc43)CC2O[PH](=S)OCC2CC(O1)C(n1cnc3cncnc31)O2

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 10 of 10 chemicals

Adenosine, [P(R)]-5'-O-[(S)-hydroxymercaptophosphinyl]-P-thioadenylyl-(3'-->5')-, cyclic (2'-->5')-nucleotide chemical structure, C20H24N10O10P2S2, CAS 1638242-31-5
Adenosine, [P(R)]-5'-O-[(S)-hydroxymercaptophosphinyl]-P-thioadenylyl-(3'-->5')-, cyclic (2'-->5')-nucleotide
CAS 1638242-31-5C20H24N10O10P2S2
ML RR-S2 CDA ammonium salt chemical structure, C20H30N12O10P2S2, CAS 1638750-96-5
ML RR-S2 CDA ammonium salt
CAS 1638750-96-5C20H30N12O10P2S2
(1R,6R,8R,9R,10R,15R,17R,18R)-8,17-Bis(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-18-ol chemical structure, C20H23FN10O9P2S2
(1R,6R,8R,9R,10R,15R,17R,18R)-8,17-Bis(6-aminopurin-9-yl)-9-fluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-18-ol
C20H23FN10O9P2S2
ML RR-S2 CDA intermediate 1 chemical structure, C32H52N10O10P2S2Si2, CAS 1638751-29-7
ML RR-S2 CDA intermediate 1
CAS 1638751-29-7C32H52N10O10P2S2Si2
ML RR-S2 CDA Sodium Salt chemical structure, C20H22N10Na2O10P2S2, CAS 1638750-95-4
ML RR-S2 CDA Sodium Salt
CAS 1638750-95-4C20H22N10Na2O10P2S2
Adenosine, [P(R)]-5'-O-[(R)-hydroxymercaptophosphinyl]-P-thioadenylyl-(2'-->5')-, cyclic nucleotide, ammonium salt (1:2) chemical structure, C20H30N12O10P2S2
Adenosine, [P(R)]-5'-O-[(R)-hydroxymercaptophosphinyl]-P-thioadenylyl-(2'-->5')-, cyclic nucleotide, ammonium salt (1:2)
C20H30N12O10P2S2
Orb1940832 chemical structure, C20H30N12O10P2S2
Orb1940832
C20H30N12O10P2S2
IACS-8803 free base chemical structure, C20H23FN10O9P2S2, CAS 2095690-70-1
IACS-8803 free base
CAS 2095690-70-1C20H23FN10O9P2S2
ADU-S100 disodium salt chemical structure, C20H24N10Na2O10P2S2
ADU-S100 disodium salt
C20H24N10Na2O10P2S2
IACS-8803 (disodium) chemical structure, C21H27FN10O9P2S2
IACS-8803 (disodium)
C21H27FN10O9P2S2