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Murcko scaffold

Ring system with 4 rings and 19 atoms

16 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
19
Chemicals
16
With full pages
2
Scaffold SMILES

S=[PH]1OCC2OC(n3cnc4cncnc43)CC2O1

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 S=[PH]1OCC2OC(n3cnc4cncnc43)CC2O1

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 16 of 16 chemicals

Adenosine-3',5'-cyclic phosphorothioate chemical structure, C10H12N5O5PS, CAS 23645-17-2
Adenosine-3',5'-cyclic phosphorothioate
CAS 23645-17-2C10H12N5O5PS
(2S,4aR,6R,7R,7aS)-6-(6-Amino-2-Chloro-9H-Purin-9-Yl)-7-Hydroxy-2-Sulfanyltetrahydro-2H,4H-2lambda~5~-Furo[3,2-D][1,3,2]dioxaphosphinin-2-One chemical structure, C10H11ClN5O5PS, CAS 124854-63-3
(2S,4aR,6R,7R,7aS)-6-(6-Amino-2-Chloro-9H-Purin-9-Yl)-7-Hydroxy-2-Sulfanyltetrahydro-2H,4H-2lambda~5~-Furo[3,2-D][1,3,2]dioxaphosphinin-2-One
CAS 124854-63-3C10H11ClN5O5PS
9-[(4aR,6R,7R,7aR)-2-Hydroxy-7-methoxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-bromopurin-6-amine chemical structure, C11H13BrN5O5PS, CAS 634208-34-7
9-[(4aR,6R,7R,7aR)-2-Hydroxy-7-methoxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-bromopurin-6-amine
CAS 634208-34-7C11H13BrN5O5PS
Rp-cAMPS triethylammonium salt chemical structure, C16H27N6O5PS, CAS 151837-09-1
Rp-cAMPS triethylammonium salt
CAS 151837-09-1C16H27N6O5PS
8-Bromoadenosine 3',5'-cyclic monophosphorothioate, Rp-isomer sodium salt chemical structure, C10H10BrN5NaO5PS, CAS 127634-20-2
8-Bromoadenosine 3',5'-cyclic monophosphorothioate, Rp-isomer sodium salt
CAS 127634-20-2C10H10BrN5NaO5PS
Sp-Cyclic AMPS (sodium salt) chemical structure, C10H11N5NaO5PS, CAS 142439-95-0
Sp-Cyclic AMPS (sodium salt)
CAS 142439-95-0C10H11N5NaO5PS
8-Bromoadenosine 3',5'-cyclic monophosphothiaoate, Sp-isomer sodium salt chemical structure, C10H10BrN5NaO5PS, CAS 925456-59-3
8-Bromoadenosine 3',5'-cyclic monophosphothiaoate, Sp-isomer sodium salt
CAS 925456-59-3C10H10BrN5NaO5PS
[(4aR,6R,7R,7aR)-6-(6-Amino-8-bromopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate chemical structure, C14H17BrN5O6PS, CAS 788807-32-9
[(4aR,6R,7R,7aR)-6-(6-Amino-8-bromopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
CAS 788807-32-9C14H17BrN5O6PS
Sodium (4aR,6R,7R,7aS)-6-(6-amino-8-chloropurin-9-yl)-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol chemical structure, C10H10ClN5NaO5PS
Sodium (4aR,6R,7R,7aS)-6-(6-amino-8-chloropurin-9-yl)-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
C10H10ClN5NaO5PS
(4aR,6R,7R,7aS)-6-(6-Amino-8-chloro-9H-purin-9-yl)-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinine-2-thione chemical structure, C10H11ClN5O5PS, CAS 142754-27-6
(4aR,6R,7R,7aS)-6-(6-Amino-8-chloro-9H-purin-9-yl)-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinine-2-thione
CAS 142754-27-6C10H11ClN5O5PS
Sodium, [(4aR,6R,7R,7aR)-6-(6-aminopurin-9-yl)-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate chemical structure, C14H17N5NaO6PS
Sodium, [(4aR,6R,7R,7aR)-6-(6-aminopurin-9-yl)-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
C14H17N5NaO6PS
(4aR,6R,7R,7aR)-6-(6-Amino-9H-purin-9-yl)-2-hydroxy-2-sulfanylidenetetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate chemical structure, C14H18N5O6PS, CAS 152218-23-0
(4aR,6R,7R,7aR)-6-(6-Amino-9H-purin-9-yl)-2-hydroxy-2-sulfanylidenetetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate
CAS 152218-23-0C14H18N5O6PS
Sodium [6-(6-amino-8-bromopurin-9-yl)-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate chemical structure, C14H16BrN5NaO6PS
Sodium [6-(6-amino-8-bromopurin-9-yl)-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
C14H16BrN5NaO6PS
cAMPS-Rp, triethylammonium salt chemical structure, C16H27N6O5PS, CAS 93602-66-5
cAMPS-Rp, triethylammonium salt
CAS 93602-66-5C16H27N6O5PS
Ethyl N-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purin-6-yl]carbamate chemical structure, C13H16N5O7PS, CAS 152218-24-1
Ethyl N-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purin-6-yl]carbamate
CAS 152218-24-1C13H16N5O7PS
Sodium 6-(6-amino-8-bromopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol chemical structure, C10H11BrN5NaO5PS+
Sodium 6-(6-amino-8-bromopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
C10H11BrN5NaO5PS+