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Murcko scaffold

Ring system with 2 rings and 13 atoms

30 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
13
Chemicals
30
With full pages
3
Scaffold SMILES

O=C(Nc1cc[nH]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(Nc1cc[nH]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 30 of 30 chemicals

Netropsin chemical structure, C18H26N10O3, CAS 1438-30-8
Netropsin
CAS 1438-30-8C18H26N10O3
MeOSO2-(CH2)2-lex chemical structure, C19H27N5O6S, CAS 148965-72-4
MeOSO2-(CH2)2-lex
CAS 148965-72-4C19H27N5O6S
N,4'-Bi(pyrrole-2-carboxamide), N'-(2-carbamoylethyl)-4-((2-guanidinoacetimidoyl)amino)-1,1'-dimethyl-, sulfate chemical structure, C18H28N10O7S, CAS 6018-79-7
N,4'-Bi(pyrrole-2-carboxamide), N'-(2-carbamoylethyl)-4-((2-guanidinoacetimidoyl)amino)-1,1'-dimethyl-, sulfate
CAS 6018-79-7C18H28N10O7S
Cenu-lex-2 chemical structure, C21H29ClN8O5, CAS 127794-31-4
Cenu-lex-2
CAS 127794-31-4C21H29ClN8O5
Netropsin hydrochloride chemical structure, C18H27ClN10O3, CAS 63770-20-7
Netropsin hydrochloride
CAS 63770-20-7C18H27ClN10O3
[2-[[5-[[5-[(3-Amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-triethylazanium, chloride, hydrochloride chemical structure, C23H38Cl2N8O3, CAS 101772-45-6
[2-[[5-[[5-[(3-Amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-triethylazanium, chloride, hydrochloride
CAS 101772-45-6C23H38Cl2N8O3
[2-[[5-[[5-[(3-Amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-trimethylazanium, chloride, hydrochloride chemical structure, C20H32Cl2N8O3, CAS 101772-46-7
[2-[[5-[[5-[(3-Amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-trimethylazanium, chloride, hydrochloride
CAS 101772-46-7C20H32Cl2N8O3
[2-[[5-[[5-[(3-Amino-3-oxopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-trimethylazanium, chloride chemical structure, C20H30ClN7O4, CAS 101772-50-3
[2-[[5-[[5-[(3-Amino-3-oxopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-trimethylazanium, chloride
CAS 101772-50-3C20H30ClN7O4
[2-[[5-[[5-[(3-Amino-3-oxo-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-2-oxo-ethyl]-trimethyl-ammonium chemical structure, C20H30N7O4+
[2-[[5-[[5-[(3-Amino-3-oxo-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-2-oxo-ethyl]-trimethyl-ammonium
C20H30N7O4+
4-Amino-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide monohydrochloride chemical structure, C15H22ClN7O2, CAS 97950-75-9
4-Amino-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide monohydrochloride
CAS 97950-75-9C15H22ClN7O2
N-(5-(((3-Amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(formylamino)-1-methyl-1H-pyrrole-2-carboxamide chemical structure, C16H21N7O3, CAS 56752-53-5
N-(5-(((3-Amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(formylamino)-1-methyl-1H-pyrrole-2-carboxamide
CAS 56752-53-5C16H21N7O3
Pt-bis-netropsin chemical structure, C46H82N20O18Pt, CAS 132642-25-2
Pt-bis-netropsin
CAS 132642-25-2C46H82N20O18Pt
1-Methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylic acid chemical structure, C12H12N4O5, CAS 97950-76-0
1-Methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylic acid
CAS 97950-76-0C12H12N4O5
Ammonium, [1-amino-3-[[[1-methyl-4-[[[1-methyl-4-[[(triethylammonio)acetyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]propylidene]- chemical structure, C23H38N8O3+2
Ammonium, [1-amino-3-[[[1-methyl-4-[[[1-methyl-4-[[(triethylammonio)acetyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]propylidene]-
C23H38N8O3+2
Ammonium, (1-amino-3-(((1-methyl-4-(((1-methyl-4-(((trimethylammonio)acetyl)amino)-1H-pyrrol-2-yl)carbonyl)amino)-1H-pyrrol-2-yl)carbonyl)amino)propylidene)- chemical structure, C20H32N8O3+2, CAS 101772-52-5
Ammonium, (1-amino-3-(((1-methyl-4-(((1-methyl-4-(((trimethylammonio)acetyl)amino)-1H-pyrrol-2-yl)carbonyl)amino)-1H-pyrrol-2-yl)carbonyl)amino)propylidene)-
CAS 101772-52-5C20H32N8O3+2
Methyl 1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylate chemical structure, C13H14N4O5, CAS 69910-20-9
Methyl 1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylate
CAS 69910-20-9C13H14N4O5
N,4'-Bi(pyrrole-2-carboxamide), 4-amino-N'-(2-carbamoylethyl)-1,1-dimethyl-, monohydrochloride chemical structure, C15H21ClN6O3, CAS 55673-54-6
N,4'-Bi(pyrrole-2-carboxamide), 4-amino-N'-(2-carbamoylethyl)-1,1-dimethyl-, monohydrochloride
CAS 55673-54-6C15H21ClN6O3
4-Amino-N-[5-[[(3-amino-3-oxopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-pyrrole-2-carboxamide chemical structure, C15H20N6O3, CAS 18133-26-1
4-Amino-N-[5-[[(3-amino-3-oxopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-pyrrole-2-carboxamide
CAS 18133-26-1C15H20N6O3
Netropsin dihydrochloride chemical structure, C18H27ClN10O3, CAS 18133-22-7
Netropsin dihydrochloride
CAS 18133-22-7C18H27ClN10O3
Pyrronamycin B chemical structure, C23H29N11O6, CAS 189080-83-9
Pyrronamycin B
CAS 189080-83-9C23H29N11O6
Pyrronamycin A chemical structure, C23H29N11O5, CAS 189080-82-8
Pyrronamycin A
CAS 189080-82-8C23H29N11O5
Methyl 4-(4-(tert-butoxycarbonylamino)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxylate chemical structure, C18H24N4O5, CAS 126092-97-5
Methyl 4-(4-(tert-butoxycarbonylamino)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxylate
CAS 126092-97-5C18H24N4O5
4-(4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxylic acid chemical structure, C17H22N4O5, CAS 126092-98-6
4-(4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxylic acid
CAS 126092-98-6C17H22N4O5
Netropsin (dihydrochloride) chemical structure, C18H28Cl2N10O3
Netropsin (dihydrochloride)
C18H28Cl2N10O3