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Murcko scaffold

Ring system with 3 rings and 21 atoms

28 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
28
With full pages
2
Scaffold SMILES

O=C(Nc1c[nH]c(C(=O)Nc2cc[nH]c2)c1)c1ccc[nH]1

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(Nc1c[nH]c(C(=O)Nc2cc[nH]c2)c1)c1ccc[nH]1

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 28 of 28 chemicals

Distamycin A chemical structure, C22H27N9O4, CAS 636-47-5
Distamycin A
CAS 636-47-5C22H27N9O4
N-[5-({5-[(3-Amino-3-iminopropyl)carbamoyl]-1-propyl-1H-pyrrol-3-yl}carbamoyl)-1-propyl-1H-pyrrol-3-yl]-4-formamido-1-propyl-1H-pyrrole-2-carboxamide chemical structure, C28H39N9O4, CAS 54954-78-8
N-[5-({5-[(3-Amino-3-iminopropyl)carbamoyl]-1-propyl-1H-pyrrol-3-yl}carbamoyl)-1-propyl-1H-pyrrol-3-yl]-4-formamido-1-propyl-1H-pyrrole-2-carboxamide
CAS 54954-78-8C28H39N9O4
N''-(2-Amidinoethyl)-4-amino-1,1',1''-trimethyl-N,4':N',4''-ter(pyrrole-2-carboxamide) monohydrochloride chemical structure, C21H28ClN9O3, CAS 3786-88-7
N''-(2-Amidinoethyl)-4-amino-1,1',1''-trimethyl-N,4':N',4''-ter(pyrrole-2-carboxamide) monohydrochloride
CAS 3786-88-7C21H28ClN9O3
1-Homodistamycin A chemical structure, C23H29N9O4, CAS 85406-98-0
1-Homodistamycin A
CAS 85406-98-0C23H29N9O4
2-Homodistamycin A chemical structure, C23H29N9O4, CAS 85407-00-7
2-Homodistamycin A
CAS 85407-00-7C23H29N9O4
3-Homodistamycin A chemical structure, C23H29N9O4, CAS 85407-02-9
3-Homodistamycin A
CAS 85407-02-9C23H29N9O4
1,2,3-Trihomodistamycin A chemical structure, C25H33N9O4, CAS 85407-04-1
1,2,3-Trihomodistamycin A
CAS 85407-04-1C25H33N9O4
1-Nordistamycin A chemical structure, C21H25N9O4, CAS 85407-06-3
1-Nordistamycin A
CAS 85407-06-3C21H25N9O4
2-Nordistamycin A chemical structure, C21H25N9O4, CAS 85407-08-5
2-Nordistamycin A
CAS 85407-08-5C21H25N9O4
3-Nordistamycin A chemical structure, C21H25N9O4, CAS 85407-10-9
3-Nordistamycin A
CAS 85407-10-9C21H25N9O4
Monomethyldistamycin A chemical structure, C23H29N9O4, CAS 85407-11-0
Monomethyldistamycin A
CAS 85407-11-0C23H29N9O4
Dimethyldistamycin A chemical structure, C24H31N9O4, CAS 85407-13-2
Dimethyldistamycin A
CAS 85407-13-2C24H31N9O4
Permethyldistamycin A chemical structure, C28H40ClN9O4, CAS 75792-61-9
Permethyldistamycin A
CAS 75792-61-9C28H40ClN9O4
Dien-microgonotropen-c chemical structure, C39H65N11O4, CAS 142155-06-4
Dien-microgonotropen-c
CAS 142155-06-4C39H65N11O4
Distamin chemical structure, C24H32N8O4, CAS 65361-29-7
Distamin
CAS 65361-29-7C24H32N8O4
N-[5-[[5-[(2-Amino-2-iminoethyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide, hydrochloride chemical structure, C21H26ClN9O4, CAS 23899-29-8
N-[5-[[5-[(2-Amino-2-iminoethyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide, hydrochloride
CAS 23899-29-8C21H26ClN9O4
4-[[4-[(4-Formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid chemical structure, C19H20N6O5, CAS 77716-21-3
4-[[4-[(4-Formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
CAS 77716-21-3C19H20N6O5
N-[5-[[5-[(3-Amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide chemical structure, C24H32N12O4, CAS 700796-84-5
N-[5-[[5-[(3-Amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide
CAS 700796-84-5C24H32N12O4
N-[5-[[(3-Amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-4-[[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino]-1H-pyrrole-2-carboxamide chemical structure, C21H25N9O5, CAS 2573-48-0
N-[5-[[(3-Amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-4-[[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino]-1H-pyrrole-2-carboxamide
CAS 2573-48-0C21H25N9O5
Tren-microgonotropen-b chemical structure, C34H56N12O4, CAS 155056-06-7
Tren-microgonotropen-b
CAS 155056-06-7C34H56N12O4
1H-Pyrrole-2-carboxamide, N-[5-[[[5-[[(2-cyanoethyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-4-(formylamino)-1-methyl- chemical structure, C22H24N8O4, CAS 71084-59-8
1H-Pyrrole-2-carboxamide, N-[5-[[[5-[[(2-cyanoethyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-4-(formylamino)-1-methyl-
CAS 71084-59-8C22H24N8O4
1H-Pyrrole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, dihydrochloride chemical structure, C24H34Cl2N12O4, CAS 74671-13-9
1H-Pyrrole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, dihydrochloride
CAS 74671-13-9C24H34Cl2N12O4
1H-Pyrrole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((2-cyanoethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, monohydrochloride chemical structure, C24H30ClN11O4, CAS 74671-14-0
1H-Pyrrole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((2-cyanoethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, monohydrochloride
CAS 74671-14-0C24H30ClN11O4
1H-Pyrrole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((2-(aminoiminomethyl)-1-methylethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, dihydrochloride chemical structure, C25H36Cl2N12O4, CAS 74687-37-9
1H-Pyrrole-2-carboxamide, 4-(((4-((((aminoiminomethyl)amino)acetyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((2-(aminoiminomethyl)-1-methylethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-, dihydrochloride
CAS 74687-37-9C25H36Cl2N12O4