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Murcko scaffold

Ring system with 3 rings and 21 atoms

15 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
15
With full pages
1
Scaffold SMILES

O=C(Nc1cccc(-c2ccccn2)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(Nc1cccc(-c2ccccn2)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

Vismodegib chemical structure, C19H14Cl2N2O3S, CAS 879085-55-9
Vismodegib
CAS 879085-55-9C19H14Cl2N2O3S
N-(4-Chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide chemical structure, C19H15ClN2O3S, CAS 1195072-86-6
N-(4-Chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide
CAS 1195072-86-6C19H15ClN2O3S
4-(Bromomethyl)-N-[4-chloro-3-(pyridin-2-yl)phenyl]benzamide chemical structure, C19H14BrClN2O, CAS 879088-66-1
4-(Bromomethyl)-N-[4-chloro-3-(pyridin-2-yl)phenyl]benzamide
CAS 879088-66-1C19H14BrClN2O
Methyl 6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxylate chemical structure, C21H16Cl2N2O5S, CAS 1552310-34-5
Methyl 6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]pyridine-3-carboxylate
CAS 1552310-34-5C21H16Cl2N2O5S
4-Chloro-N-[3-(6-dimethylamino-4-trifluoromethyl-pyridin-2-yl)-phenyl]-benzamide chemical structure, C21H17ClF3N3O, CAS 1311279-66-9
4-Chloro-N-[3-(6-dimethylamino-4-trifluoromethyl-pyridin-2-yl)-phenyl]-benzamide
CAS 1311279-66-9C21H17ClF3N3O
tert-Butyl N-[3-chloro-4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylcarbamate chemical structure, C23H21Cl2N3O5S, CAS 1552310-56-1
tert-Butyl N-[3-chloro-4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylcarbamate
CAS 1552310-56-1C23H21Cl2N3O5S
2-[5-[(4-Hydroxyphenyl)carbonylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid chemical structure, C19H14N2O5, CAS 1841508-48-2
2-[5-[(4-Hydroxyphenyl)carbonylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
CAS 1841508-48-2C19H14N2O5
Vismodegib-d4 chemical structure, C19H14Cl2N2O3S, CAS 1450990-33-6
Vismodegib-d4
CAS 1450990-33-6C19H14Cl2N2O3S
Vismodegib impurity 28 chemical structure, C19H15ClN2O3S, CAS 2117637-61-1
Vismodegib impurity 28
CAS 2117637-61-1C19H15ClN2O3S
Vismodegib (m14) chemical structure, C19H14Cl2N2O4S, CAS 1360432-17-2
Vismodegib (m14)
CAS 1360432-17-2C19H14Cl2N2O4S
Vismodegib M3 chemical structure, C19H14Cl2N2O4S, CAS 1370525-64-6
Vismodegib M3
CAS 1370525-64-6C19H14Cl2N2O4S
Vismodegib M1 chemical structure, C19H14Cl2N2O4S, CAS 1370525-63-5
Vismodegib M1
CAS 1370525-63-5C19H14Cl2N2O4S
Vismodegib-d7 chemical structure, C19H14Cl2N2O3S, CAS 2733145-73-6
Vismodegib-d7
CAS 2733145-73-6C19H14Cl2N2O3S
2-Chloro-N-[4-chloro-3-(1-oxido-2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamide chemical structure, C19H14Cl2N2O4S, CAS 2248170-87-6
2-Chloro-N-[4-chloro-3-(1-oxido-2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamide
CAS 2248170-87-6C19H14Cl2N2O4S
AM2Xgb6szj chemical structure, C19H14ClN3O5S, CAS 3085683-17-3
AM2Xgb6szj
CAS 3085683-17-3C19H14ClN3O5S