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Murcko scaffold

Ring system with 3 rings and 18 atoms

203 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
203
With full pages
23
Scaffold SMILES

c1ccc(NCc2cnc3ncncc3n2)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(NCc2cnc3ncncc3n2)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 203 chemicals

N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glutamic acid chemical structure, C19H20N8O5, CAS 1236566-87-2
N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glutamic acid
CAS 1236566-87-2C19H20N8O5
Methotrexate, (A+-)- chemical structure, C20H22N8O5, CAS 60388-53-6
Methotrexate, (A+-)-
CAS 60388-53-6C20H22N8O5
Dichloromethotrexate chemical structure, C20H20Cl2N8O5, CAS 528-74-5
Dichloromethotrexate
CAS 528-74-5C20H20Cl2N8O5
Aminoanfol chemical structure, C18H18N8O5, CAS 25312-31-6
Aminoanfol
CAS 25312-31-6C18H18N8O5
Bromochloromethotrexate chemical structure, C20H20BrClN8O5, CAS 6914-12-1
Bromochloromethotrexate
CAS 6914-12-1C20H20BrClN8O5
D-Amethopterin chemical structure, C20H22N8O5, CAS 51865-79-3
D-Amethopterin
CAS 51865-79-3C20H22N8O5
Deoxyaminopteroic acid chemical structure, C15H15N7O2, CAS 19741-14-1
Deoxyaminopteroic acid
CAS 19741-14-1C15H15N7O2
Diethyl methotrexate chemical structure, C24H30N8O5, CAS 43170-88-3
Diethyl methotrexate
CAS 43170-88-3C24H30N8O5
10-Ethylaminopterin chemical structure, C21H24N8O5, CAS 14683-83-1
10-Ethylaminopterin
CAS 14683-83-1C21H24N8O5
A-Denopterin chemical structure, C21H24N8O5, CAS 25663-23-4
A-Denopterin
CAS 25663-23-4C21H24N8O5
3',5'-Difluoromethotrexate chemical structure, C20H20F2N8O5, CAS 34378-64-8
3',5'-Difluoromethotrexate
CAS 34378-64-8C20H20F2N8O5
3'-Chloromethotrexate chemical structure, C20H21ClN8O5, CAS 5472-96-8
3'-Chloromethotrexate
CAS 5472-96-8C20H21ClN8O5
N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)-3-methoxybenzoyl)-L-glutamic acid chemical structure, C21H24N8O6, CAS 82144-26-1
N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)-3-methoxybenzoyl)-L-glutamic acid
CAS 82144-26-1C21H24N8O6
Methotrexate-gamma-monoamide chemical structure, C20H23N9O4, CAS 64801-56-5
Methotrexate-gamma-monoamide
CAS 64801-56-5C20H23N9O4
Methotrexate-alpha glutamate chemical structure, C25H29N9O8, CAS 71074-49-2
Methotrexate-alpha glutamate
CAS 71074-49-2C25H29N9O8
Methotrexate di-n-butyl ester chemical structure, C28H38N8O5, CAS 50602-77-2
Methotrexate di-n-butyl ester
CAS 50602-77-2C28H38N8O5
10-Propargylaminopterin chemical structure, C22H22N8O5, CAS 82318-25-0
10-Propargylaminopterin
CAS 82318-25-0C22H22N8O5
Methotrexate-gamma-aspartate chemical structure, C24H27N9O8, CAS 64801-58-7
Methotrexate-gamma-aspartate
CAS 64801-58-7C24H27N9O8
Methotrexate-gamma-methylamide chemical structure, C21H25N9O4, CAS 67036-48-0
Methotrexate-gamma-methylamide
CAS 67036-48-0C21H25N9O4
Methotrexate-gamma-dimethylamide chemical structure, C22H27N9O4, CAS 71074-44-7
Methotrexate-gamma-dimethylamide
CAS 71074-44-7C22H27N9O4
Methotrexate alpha-aspartate chemical structure, C24H27N9O8, CAS 71074-48-1
Methotrexate alpha-aspartate
CAS 71074-48-1C24H27N9O8
5-Monobutyl methotrexate chemical structure, C24H30N8O5, CAS 66147-31-7
5-Monobutyl methotrexate
CAS 66147-31-7C24H30N8O5
gamma-tert-Butyl methotrexate chemical structure, C24H30N8O5, CAS 79640-76-9
gamma-tert-Butyl methotrexate
CAS 79640-76-9C24H30N8O5
Dimethyl methotrexate chemical structure, C22H26N8O5, CAS 34378-65-9
Dimethyl methotrexate
CAS 34378-65-9C22H26N8O5