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Murcko scaffold

Ring system with 4 rings and 29 atoms

16 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
29
Chemicals
16
With full pages
2
Scaffold SMILES

O=C(NCc1ncccn1)c1cnc(N2CCCC2)nc1NCc1ccccc1

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(NCc1ncccn1)c1cnc(N2CCCC2)nc1NCc1ccccc1

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 16 of 16 chemicals

Avanafil chemical structure, C23H26ClN7O3, CAS 330784-47-9
Avanafil
CAS 330784-47-9C23H26ClN7O3
4-((3-Chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide chemical structure, C23H26ClN7O3, CAS 1706458-94-7
4-((3-Chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CAS 1706458-94-7C23H26ClN7O3
Avanafil impurity S chemical structure, C22H24ClN7O3, CAS 330785-05-2
Avanafil impurity S
CAS 330785-05-2C22H24ClN7O3
Avanafil impurity 28 chemical structure, C23H27N7O3, CAS 330784-50-4
Avanafil impurity 28
CAS 330784-50-4C23H27N7O3
Avanafil-13C5,15N chemical structure, C23H26ClN7O3, CAS 1276495-36-3
Avanafil-13C5,15N
CAS 1276495-36-3C23H26ClN7O3
Avanafil dibesylate chemical structure, C35H38ClN7O9S2, CAS 330784-48-0
Avanafil dibesylate
CAS 330784-48-0C35H38ClN7O9S2
(4-((3-Chloro-4-methoxybenzyl)amino)-5-((pyrimidin-2-ylmethyl)carbamoyl)pyrimidin-2-yl)-L-proline chemical structure, C23H24ClN7O4, CAS 1830294-64-8
(4-((3-Chloro-4-methoxybenzyl)amino)-5-((pyrimidin-2-ylmethyl)carbamoyl)pyrimidin-2-yl)-L-proline
CAS 1830294-64-8C23H24ClN7O4
R-Avanafil chemical structure, C23H26ClN7O3, CAS 1638497-26-3
R-Avanafil
CAS 1638497-26-3C23H26ClN7O3
Avanafil impurity 11 chemical structure, C22H25N7O2, CAS 1643811-30-6
Avanafil impurity 11
CAS 1643811-30-6C22H25N7O2
4-(S)-Hydroxypyrrolidinylavanafil chemical structure, C23H26ClN7O4, CAS 330785-54-1
4-(S)-Hydroxypyrrolidinylavanafil
CAS 330785-54-1C23H26ClN7O4
3-(S)-Hydroxypyrrolidinylavanafil chemical structure, C23H26ClN7O4, CAS 330785-58-5
3-(S)-Hydroxypyrrolidinylavanafil
CAS 330785-58-5C23H26ClN7O4
Avanafil-13C-d3 chemical structure, C23H26ClN7O3, CAS 2738376-89-9
Avanafil-13C-d3
CAS 2738376-89-9C23H26ClN7O3
(R)-2-(2-(Hydroxymethyl)pyrrolidin-1-yl)-4-((4-methoxybenzyl)amino)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide chemical structure, C23H27N7O3, CAS 2250242-21-6
(R)-2-(2-(Hydroxymethyl)pyrrolidin-1-yl)-4-((4-methoxybenzyl)amino)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CAS 2250242-21-6C23H27N7O3
(S)-4-((2-Chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide chemical structure, C23H26ClN7O3, CAS 2520114-34-3
(S)-4-((2-Chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CAS 2520114-34-3C23H26ClN7O3
(S)-(1-(4-((3-Chloro-4-methoxybenzyl)amino)-5-((pyrimidin-2-ylmethyl)carbamoyl)pyrimidin-2-yl)pyrrolidin-2-yl)methyl acetate chemical structure, C25H28ClN7O4, CAS 2265230-80-4
(S)-(1-(4-((3-Chloro-4-methoxybenzyl)amino)-5-((pyrimidin-2-ylmethyl)carbamoyl)pyrimidin-2-yl)pyrrolidin-2-yl)methyl acetate
CAS 2265230-80-4C25H28ClN7O4
N-Nitroso-avanafil chemical structure, C23H25ClN8O4, CAS 3050754-67-8
N-Nitroso-avanafil
CAS 3050754-67-8C23H25ClN8O4