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Murcko scaffold

Ring system with 4 rings and 22 atoms

80 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
80
With full pages
10
Scaffold SMILES

c1ccc(Nc2nccc(-c3c[nH]c4ccccc34)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(-c3c[nH]c4ccccc34)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 48 of 80 chemicals

2-Pyrimidinamine, 4-(1H-indol-3-yl)-N-(3,4,5-trimethoxyphenyl)- chemical structure, C21H20N4O3, CAS 191727-52-3
2-Pyrimidinamine, 4-(1H-indol-3-yl)-N-(3,4,5-trimethoxyphenyl)-
CAS 191727-52-3C21H20N4O3
N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine chemical structure, C20H16FN5O3, CAS 1421372-94-2
N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine
CAS 1421372-94-2C20H16FN5O3
N-(4-Bromo-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine chemical structure, C20H16BrN5O3, CAS 1421373-08-1
N-(4-Bromo-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
CAS 1421373-08-1C20H16BrN5O3
N1-(2-(Dimethylamino)ethyl)-5-methoxy-N1-methyl-N4-(4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl)-2-nitro-1,4-benzenediamine chemical structure, C25H29N7O3, CAS 1421372-67-9
N1-(2-(Dimethylamino)ethyl)-5-methoxy-N1-methyl-N4-(4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl)-2-nitro-1,4-benzenediamine
CAS 1421372-67-9C25H29N7O3
N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine chemical structure, C19H14FN5O3, CAS 1421372-34-0
N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine
CAS 1421372-34-0C19H14FN5O3
N1-(4-(1H-indol-3-yl)pyrimidin-2-yl)-N4-(2-(dimethylamino)ethyl)-2-methoxy-N4-methyl-5-nitrobenzene-1,4-diamine chemical structure, C24H27N7O3, CAS 1421373-32-1
N1-(4-(1H-indol-3-yl)pyrimidin-2-yl)-N4-(2-(dimethylamino)ethyl)-2-methoxy-N4-methyl-5-nitrobenzene-1,4-diamine
CAS 1421373-32-1C24H27N7O3
tert-Butyl (2-((5-methoxy-4-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)-2-nitrophenyl)(methyl)amino)ethyl)(methyl)carbamate chemical structure, C29H35N7O5, CAS 1421373-35-4
tert-Butyl (2-((5-methoxy-4-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)-2-nitrophenyl)(methyl)amino)ethyl)(methyl)carbamate
CAS 1421373-35-4C29H35N7O5
Osimertinib chemical structure, C28H33N7O2, CAS 1421373-65-0
Osimertinib
CAS 1421373-65-0C28H33N7O2
N-[4-Methoxy-5-[[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino]-2-[methyl[2-(methylamino)ethyl]amino]phenyl]-2-propenamide chemical structure, C27H31N7O2, CAS 1421373-99-0
N-[4-Methoxy-5-[[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino]-2-[methyl[2-(methylamino)ethyl]amino]phenyl]-2-propenamide
CAS 1421373-99-0C27H31N7O2
AZ-5104 chemical structure, C27H31N7O2, CAS 1421373-98-9
AZ-5104
CAS 1421373-98-9C27H31N7O2
5-Chloro-4-(1H-indol-3-yl)-N-(2-methoxy-5-nitrophenyl)pyrimidin-2-amine chemical structure, C19H14ClN5O3, CAS 1453198-91-8
5-Chloro-4-(1H-indol-3-yl)-N-(2-methoxy-5-nitrophenyl)pyrimidin-2-amine
CAS 1453198-91-8C19H14ClN5O3
Mutant EGFR inhibitor chemical structure, C27H30ClN7O2, CAS 1421373-62-7
Mutant EGFR inhibitor
CAS 1421373-62-7C27H30ClN7O2
Osimertinib mesylate chemical structure, C29H37N7O5S, CAS 1421373-66-1
Osimertinib mesylate
CAS 1421373-66-1C29H37N7O5S
Mutated EGFR-IN-1 chemical structure, C25H31N7O, CAS 1421372-66-8
Mutated EGFR-IN-1
CAS 1421372-66-8C25H31N7O
N-(5-{[5-Chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}-2-{2-dimethylaminoethyl-methylamino}-4-methoxyphenyl)prop-2-enamide chemical structure, C28H32ClN7O2, CAS 1421373-63-8
N-(5-{[5-Chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}-2-{2-dimethylaminoethyl-methylamino}-4-methoxyphenyl)prop-2-enamide
CAS 1421373-63-8C28H32ClN7O2
3-Chloro-N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)propanamide chemical structure, C28H34ClN7O2, CAS 1421373-36-5
3-Chloro-N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)propanamide
CAS 1421373-36-5C28H34ClN7O2
N1-(2-dimethylaminoethyl)-N4-[4-(1H-indol-3-yl)pyrimidin-2-yl]-5-methoxy-N1-methylbenzene-1,2,4-triamine chemical structure, C24H29N7O, CAS 1421373-31-0
N1-(2-dimethylaminoethyl)-N4-[4-(1H-indol-3-yl)pyrimidin-2-yl]-5-methoxy-N1-methylbenzene-1,2,4-triamine
CAS 1421373-31-0C24H29N7O
tert-Butyl (2-((2-acrylamido-5-methoxy-4-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)(methyl)amino)ethyl)(methyl)carbamate chemical structure, C32H39N7O4, CAS 1421373-33-2
tert-Butyl (2-((2-acrylamido-5-methoxy-4-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)(methyl)amino)ethyl)(methyl)carbamate
CAS 1421373-33-2C32H39N7O4
Osimertinib-d6 chemical structure, C28H33N7O2, CAS 1638281-44-3
Osimertinib-d6
CAS 1638281-44-3C28H33N7O2
Asandeutertinib chemical structure, C28H33N7O2, CAS 1638281-46-5
Asandeutertinib
CAS 1638281-46-5C28H33N7O2
Deuterated osimertinib chemical structure, C28H33N7O2, CAS 1638281-48-7
Deuterated osimertinib
CAS 1638281-48-7C28H33N7O2
Osimertinib (dimesylate) chemical structure, C30H41N7O8S2, CAS 2070014-82-1
Osimertinib (dimesylate)
CAS 2070014-82-1C30H41N7O8S2
Methyl 2-((4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxy-5-nitrophenyl)amino)-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate chemical structure, C27H31N7O5, CAS 1847464-27-0
Methyl 2-((4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxy-5-nitrophenyl)amino)-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate
CAS 1847464-27-0C27H31N7O5
Mobocertinib chemical structure, C32H39N7O4, CAS 1847461-43-1
Mobocertinib
CAS 1847461-43-1C32H39N7O4