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Murcko scaffold

Ring system with 4 rings and 23 atoms

19 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
19
With full pages
1
Scaffold SMILES

O=C(c1ccccc1)c1c[nH]c2ncc(-c3ccccc3)cc12

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(c1ccccc1)c1c[nH]c2ncc(-c3ccccc3)cc12

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 19 of 19 chemicals

Vemurafenib chemical structure, C23H18ClF2N3O3S, CAS 918504-65-1
Vemurafenib
CAS 918504-65-1C23H18ClF2N3O3S
Vemurafenib-d5 chemical structure, C23H18ClF2N3O3S, CAS 1365986-90-8
Vemurafenib-d5
CAS 1365986-90-8C23H18ClF2N3O3S
(3-Methoxyphenyl)(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone chemical structure, C21H16N2O2, CAS 858118-38-4
(3-Methoxyphenyl)(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CAS 858118-38-4C21H16N2O2
4-(3-(3-Methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide chemical structure, C22H17N3O3, CAS 858118-28-2
4-(3-(3-Methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CAS 858118-28-2C22H17N3O3
4-[3-(3-Hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide chemical structure, C21H15N3O3, CAS 858118-39-5
4-[3-(3-Hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CAS 858118-39-5C21H15N3O3
4-(3-(2-Fluorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide chemical structure, C21H14FN3O2, CAS 858118-29-3
4-(3-(2-Fluorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CAS 858118-29-3C21H14FN3O2
4-(3-(2-Methylbenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide chemical structure, C22H17N3O2, CAS 858118-23-7
4-(3-(2-Methylbenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CAS 858118-23-7C22H17N3O2
4-[3-(2,3-Dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide chemical structure, C21H13Cl2N3O2, CAS 858118-24-8
4-[3-(2,3-Dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CAS 858118-24-8C21H13Cl2N3O2
3-[3-(3-Methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide chemical structure, C22H17N3O3, CAS 858118-47-5
3-[3-(3-Methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CAS 858118-47-5C22H17N3O3
4-(3-(4-Chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide chemical structure, C21H14ClN3O2, CAS 858118-33-9
4-(3-(4-Chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CAS 858118-33-9C21H14ClN3O2
(3-Aminophenyl)[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone chemical structure, C20H14FN3O, CAS 918524-06-8
(3-Aminophenyl)[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CAS 918524-06-8C20H14FN3O
Vemurafenib impurity 5 chemical structure, C23H19F2N3O3S, CAS 918504-63-9
Vemurafenib impurity 5
CAS 918504-63-9C23H19F2N3O3S
Vemurafenib HCl chemical structure, C23H19Cl2F2N3O3S, CAS 1415041-85-8
Vemurafenib HCl
CAS 1415041-85-8C23H19Cl2F2N3O3S
Vemurafenib-d7 chemical structure, C23H18ClF2N3O3S, CAS 1365986-73-7
Vemurafenib-d7
CAS 1365986-73-7C23H18ClF2N3O3S
1-Propanesulfonamide, N-[3-[[5-(4-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-(ACI) chemical structure, C23H20F2N4O3S, CAS 2230957-10-3
1-Propanesulfonamide, N-[3-[[5-(4-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-(ACI)
CAS 2230957-10-3C23H20F2N4O3S
N-[3-Bromo-5-[[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]phenyl]-1-propanesulfonamide chemical structure, C23H19BrClN3O3S, CAS 2409139-12-2
N-[3-Bromo-5-[[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]phenyl]-1-propanesulfonamide
CAS 2409139-12-2C23H19BrClN3O3S
(5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)(2,6-difluoro-3-nitrophenyl)methanone chemical structure, C20H10ClF2N3O3, CAS 2136598-00-8
(5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)(2,6-difluoro-3-nitrophenyl)methanone
CAS 2136598-00-8C20H10ClF2N3O3
Vemurafenib impurity 7 chemical structure, C25H20ClF2N3O4S, CAS 1417734-62-3
Vemurafenib impurity 7
CAS 1417734-62-3C25H20ClF2N3O4S
Orb3236808 chemical structure, C24H22F2N4O3S, CAS 2417296-80-9
Orb3236808
CAS 2417296-80-9C24H22F2N4O3S