CompoundList
Sign in
Murcko scaffold

Ring system with 3 rings and 20 atoms

31 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
31
With full pages
6
Scaffold SMILES

c1ccc(Nc2nccc(Oc3ccccc3)n2)cc1

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 c1ccc(Nc2nccc(Oc3ccccc3)n2)cc1

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 31 of 31 chemicals

Etravirine chemical structure, C20H15BrN6O, CAS 269055-15-4
Etravirine
CAS 269055-15-4C20H15BrN6O
4-({6-Amino-2-[(4-cyanophenyl)amino]pyrimidin-4-YL}oxy)-3,5-dimethylbenzonitrile chemical structure, C20H16N6O, CAS 939431-68-2
4-({6-Amino-2-[(4-cyanophenyl)amino]pyrimidin-4-YL}oxy)-3,5-dimethylbenzonitrile
CAS 939431-68-2C20H16N6O
Etravirine impurity 5 chemical structure, C20H14BrN5O, CAS 269055-04-1
Etravirine impurity 5
CAS 269055-04-1C20H14BrN5O
4-((5-Chloro-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile chemical structure, C20H14ClN5O, CAS 269055-05-2
4-((5-Chloro-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
CAS 269055-05-2C20H14ClN5O
4-[[4-(2,4,6-Trimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile chemical structure, C20H18N4O, CAS 244767-74-6
4-[[4-(2,4,6-Trimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile
CAS 244767-74-6C20H18N4O
Etravirine impurity 4 chemical structure, C20H15ClN6O, CAS 269055-19-8
Etravirine impurity 4
CAS 269055-19-8C20H15ClN6O
Etravirine N-oxide chemical structure, C20H15BrN6O2, CAS 907180-19-2
Etravirine N-oxide
CAS 907180-19-2C20H15BrN6O2
6-Desamino 6-chloro etravirine chemical structure, C20H13BrClN5O, CAS 269055-76-7
6-Desamino 6-chloro etravirine
CAS 269055-76-7C20H13BrClN5O
4-[[6-Amino-5-(bromo-77Br)-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile chemical structure, C20H15BrN6O, CAS 939431-69-3
4-[[6-Amino-5-(bromo-77Br)-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
CAS 939431-69-3C20H15BrN6O
Etravirine hydrobromide chemical structure, C20H16Br2N6O, CAS 1030633-38-5
Etravirine hydrobromide
CAS 1030633-38-5C20H16Br2N6O
Etravirine D4 chemical structure, C20H15BrN6O, CAS 1142095-93-9
Etravirine D4
CAS 1142095-93-9C20H15BrN6O
Etravirine-d6 chemical structure, C20H15BrN6O, CAS 1142096-06-7
Etravirine-d6
CAS 1142096-06-7C20H15BrN6O
4-[[6-Chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile chemical structure, C20H14ClN5O, CAS 1070377-34-2
4-[[6-Chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
CAS 1070377-34-2C20H14ClN5O
4-({6-Amino-5-bromo-2-[(2-bromo-4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile chemical structure, C20H14Br2N6O, CAS 1246746-61-1
4-({6-Amino-5-bromo-2-[(2-bromo-4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
CAS 1246746-61-1C20H14Br2N6O
Etravirine-d8 chemical structure, C20H15BrN6O
Etravirine-d8
C20H15BrN6O
N1-[4-(3-Chloro-4-methoxyphenoxy)-2-pyrimidinyl]-1,3-benzenediamine chemical structure, C17H15ClN4O2, CAS 945756-33-2
N1-[4-(3-Chloro-4-methoxyphenoxy)-2-pyrimidinyl]-1,3-benzenediamine
CAS 945756-33-2C17H15ClN4O2
4-[4-(4-Iodo-2,6-dimethylphenoxy)pyrimidin-2-ylamino]benzonitrile chemical structure, C19H15IN4O, CAS 1189790-57-5
4-[4-(4-Iodo-2,6-dimethylphenoxy)pyrimidin-2-ylamino]benzonitrile
CAS 1189790-57-5C19H15IN4O
[4-(4-Amino-3-methyl-phenoxy)-pyrimidin-2-yl]-(3-methoxy-phenyl)-amine chemical structure, C18H18N4O2, CAS 853299-37-3
[4-(4-Amino-3-methyl-phenoxy)-pyrimidin-2-yl]-(3-methoxy-phenyl)-amine
CAS 853299-37-3C18H18N4O2
(3-Methoxy-phenyl)-[4-(3-methyl-4-nitro-phenoxy)-pyrimidin-2-yl]-amine chemical structure, C18H16N4O4, CAS 853299-38-4
(3-Methoxy-phenyl)-[4-(3-methyl-4-nitro-phenoxy)-pyrimidin-2-yl]-amine
CAS 853299-38-4C18H16N4O4
Des(6-amino-5-bromo)-5-amino-6-chloro Etravirine chemical structure, C20H15ClN6O, CAS 269055-78-9
Des(6-amino-5-bromo)-5-amino-6-chloro Etravirine
CAS 269055-78-9C20H15ClN6O
6-Desamino 6-chloro etravirine-13C3 chemical structure, C20H13BrClN5O, CAS 1246818-40-5
6-Desamino 6-chloro etravirine-13C3
CAS 1246818-40-5C20H13BrClN5O
Dihydroxy etravirine chemical structure, C20H15BrN6O3, CAS 1246818-67-6
Dihydroxy etravirine
CAS 1246818-67-6C20H15BrN6O3
Etravirine-13C3 chemical structure, C20H15BrN6O, CAS 1189671-48-4
Etravirine-13C3
CAS 1189671-48-4C20H15BrN6O
Monohydroxy etravirine chemical structure, C20H15BrN6O2, CAS 1246815-68-8
Monohydroxy etravirine
CAS 1246815-68-8C20H15BrN6O2