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Murcko scaffold

Ring system with 4 rings and 23 atoms

15 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 23
Chemicals: 15
With full pages: 2

Scaffold SMILES

O=C(OC1COC(n2cnc3cncnc32)C1)c1ccccc1

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=C(OC1COC(n2cnc3cncnc32)C1)c1ccccc1

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 15 of 15 chemicals

3'-O-(N-Methylanthraniloyl) ATP chemical structure, C18H23N6O14P3, CAS 85287-56-5

3'-O-(N-Methylanthraniloyl) ATP

CAS 85287-56-5C₁₈H₂₃N₆O₁₄P₃

3'-Anthraniloyl-2'-deoxy-ATP chemical structure, C17H21N6O13P3, CAS 130996-25-7

3'-Anthraniloyl-2'-deoxy-ATP

CAS 130996-25-7C₁₇H₂₁N₆O₁₃P₃

5-Azido-2-nitrobenzoyl-8-azido ATP chemical structure, C17H17N12O16P3, CAS 129391-97-5

5-Azido-2-nitrobenzoyl-8-azido ATP

CAS 129391-97-5C₁₇H₁₇N₁₂O₁₆P₃

Adenosine 5'-(trihydrogen diphosphate), 3'-(2-(methylamino)benzoate) chemical structure, C18H22N6O11P2, CAS 85287-55-4

Adenosine 5'-(trihydrogen diphosphate), 3'-(2-(methylamino)benzoate)

CAS 85287-55-4C₁₈H₂₂N₆O₁₁P₂

2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate chemical structure, C18H22N6O10P2, CAS 91828-83-0

2'(3')-O-N-Methylanthraniloyl-adenosine-5'-diphosphate

CAS 91828-83-0C₁₈H₂₂N₆O₁₀P₂

5'-Adenylic acid, 3'-[2-(methylamino)benzoate] chemical structure, C18H21N6O8P, CAS 85287-53-2

5'-Adenylic acid, 3'-[2-(methylamino)benzoate]

CAS 85287-53-2C₁₈H₂₁N₆O₈P

[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] benzoate chemical structure, C17H20N5O14P3, CAS 288375-18-8

[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] benzoate

CAS 288375-18-8C₁₇H₂₀N₅O₁₄P₃

3'-O-Anthraniloyl ATP chemical structure, C17H21N6O14P3, CAS 85287-49-6

3'-O-Anthraniloyl ATP

CAS 85287-49-6C₁₇H₂₁N₆O₁₄P₃

3'-O-(N-Methylanthraniloyl)-dATP chemical structure, C18H23N6O13P3, CAS 128113-53-1

3'-O-(N-Methylanthraniloyl)-dATP

CAS 128113-53-1C₁₈H₂₃N₆O₁₃P₃

(2R,3S,5R)-5-(6-Amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl 4-methylbenzoate chemical structure, C18H18ClN5O4, CAS 152463-98-4

(2R,3S,5R)-5-(6-Amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl 4-methylbenzoate

CAS 152463-98-4C₁₈H₁₈ClN₅O₄

Adenosine 5 inverted exclamation marka-(tetrahydrogen triphosphate), 3 inverted exclamation marka-[4-(methylamino)benzoate] chemical structure, C18H23N6O14P3, CAS 175737-81-2

Adenosine 5 inverted exclamation marka-(tetrahydrogen triphosphate), 3 inverted exclamation marka-[4-(methylamino)benzoate]

CAS 175737-81-2C₁₈H₂₃N₆O₁₄P₃

TGB chemical structure, C18H23N6O13P3S, CAS 1809315-85-2

CAS 1809315-85-2C₁₈H₂₃N₆O₁₃P₃S

Orb63430 chemical structure, C36H46N12O28P6, CAS 151481-86-6

CAS 151481-86-6C₃₆H₄₆N₁₂O₂₈P₆

Orb533245 chemical structure, C34H42N12O28P6, CAS 289633-56-3

CAS 289633-56-3C₃₄H₄₂N₁₂O₂₈P₆

Orb63432 chemical structure, C36H44N12O22P4, CAS 151481-85-5

CAS 151481-85-5C₃₆H₄₄N₁₂O₂₂P₄