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Murcko scaffold

Ring system with 4 rings and 44 atoms

20 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
44
Chemicals
20
With full pages
8
Scaffold SMILES

O=C(CCCO[PH](=O)O[PH](=O)OCC1CCC(n2cnc3cncnc32)O1)NCCC(=O)NCCSC(=O)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(CCCO[PH](=O)O[PH](=O)OCC1CCC(n2cnc3cncnc32)O1)NCCC(=O)NCCSC(=O)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 20 of 20 chemicals

Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate) chemical structure, C32H44N7O20P3S, CAS 72471-59-1
Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)
CAS 72471-59-1C32H44N7O20P3S
Coenzyme A, S-(4-hydroxybenzoate) chemical structure, C28H40N7O18P3S, CAS 27718-41-8
Coenzyme A, S-(4-hydroxybenzoate)
CAS 27718-41-8C28H40N7O18P3S
4-Azidobenzoyl-coenzyme A chemical structure, C28H39N10O17P3S, CAS 63550-94-7
4-Azidobenzoyl-coenzyme A
CAS 63550-94-7C28H39N10O17P3S
4-Chlorobenzoyl-CoA chemical structure, C28H39ClN7O17P3S, CAS 117380-98-0
4-Chlorobenzoyl-CoA
CAS 117380-98-0C28H39ClN7O17P3S
Anthraniloyl-CoA chemical structure, C28H41N8O17P3S, CAS 31143-02-9
Anthraniloyl-CoA
CAS 31143-02-9C28H41N8O17P3S
2,4-Dichlorobenzoyl-CoA chemical structure, C28H38Cl2N7O17P3S, CAS 150693-18-8
2,4-Dichlorobenzoyl-CoA
CAS 150693-18-8C28H38Cl2N7O17P3S
Benzoyl-CoA chemical structure, C28H40N7O17P3S, CAS 6756-74-7
Benzoyl-CoA
CAS 6756-74-7C28H40N7O17P3S
3-Hydroxybenzoyl-CoA chemical structure, C28H40N7O18P3S, CAS 52301-52-7
3-Hydroxybenzoyl-CoA
CAS 52301-52-7C28H40N7O18P3S
2-Fluorobenzoyl-CoA chemical structure, C28H39FN7O17P3S, CAS 404355-19-7
2-Fluorobenzoyl-CoA
CAS 404355-19-7C28H39FN7O17P3S
3-Fluorobenzoyl-CoA chemical structure, C28H39FN7O17P3S, CAS 404355-20-0
3-Fluorobenzoyl-CoA
CAS 404355-20-0C28H39FN7O17P3S
2-Hydroxybenzoyl-CoA chemical structure, C28H40N7O18P3S, CAS 10478-66-7
2-Hydroxybenzoyl-CoA
CAS 10478-66-7C28H40N7O18P3S
N-Methylanthraniloyl-CoA chemical structure, C29H43N8O17P3S, CAS 144253-03-2
N-Methylanthraniloyl-CoA
CAS 144253-03-2C29H43N8O17P3S
2-Hydroxybenzoyl coenzyme A chemical structure, C28H40N7O18P3S
2-Hydroxybenzoyl coenzyme A
C28H40N7O18P3S
2,5-Dihydroxybenzoyl-CoA chemical structure, C28H40N7O19P3S, CAS 154145-26-3
2,5-Dihydroxybenzoyl-CoA
CAS 154145-26-3C28H40N7O19P3S
Orb3144791 chemical structure, C28H41N8O17P3S, CAS 144862-24-8
Orb3144791
CAS 144862-24-8C28H41N8O17P3S
3-Chlorobenzoyl-CoA chemical structure, C28H39ClN7O17P3S, CAS 117411-08-2
3-Chlorobenzoyl-CoA
CAS 117411-08-2C28H39ClN7O17P3S
6-Methylsalicylyl-CoA chemical structure, C29H42N7O18P3S, CAS 1245729-61-6
6-Methylsalicylyl-CoA
CAS 1245729-61-6C29H42N7O18P3S
3,6-Dimethylsalicylyl-CoA chemical structure, C30H44N7O18P3S, CAS 958871-82-4
3,6-Dimethylsalicylyl-CoA
CAS 958871-82-4C30H44N7O18P3S
Vanilloyl-CoA chemical structure, C29H42N7O19P3S, CAS 181360-07-6
Vanilloyl-CoA
CAS 181360-07-6C29H42N7O19P3S
Orb3216391 chemical structure, C28H40N7O20P3S, CAS 84274-57-7
Orb3216391
CAS 84274-57-7C28H40N7O20P3S