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Murcko scaffold

Ring system with 5 rings and 18 atoms

15 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
18
Chemicals
15
With full pages
4
Scaffold SMILES

C1=C2Nc3ccccc3C23CCN2CCC1CC23

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 C1=C2Nc3ccccc3C23CCN2CCC1CC23

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 15 of 15 chemicals

Tubotaiwine N-oxide chemical structure, C20H24N2O3, CAS 40169-69-5
Tubotaiwine N-oxide
CAS 40169-69-5C20H24N2O3
Lochneridine chemical structure, C20H24N2O3, CAS 5980-01-8
Lochneridine
CAS 5980-01-8C20H24N2O3
Echitamidine chemical structure, C20H24N2O3, CAS 38681-90-2
Echitamidine
CAS 38681-90-2C20H24N2O3
N(4)-Demethyl-12-methoxyalstogustine chemical structure, C21H26N2O4, CAS 874296-98-7
N(4)-Demethyl-12-methoxyalstogustine
CAS 874296-98-7C21H26N2O4
(+)-Tubotaiwine chemical structure, C20H24N2O2, CAS 6711-69-9
(+)-Tubotaiwine
CAS 6711-69-9C20H24N2O2
19-Epischolaricine chemical structure, C20H24N2O4
19-Epischolaricine
C20H24N2O4
19-Epi-scholaricine chemical structure, C20H24N2O4, CAS 132923-06-9
19-Epi-scholaricine
CAS 132923-06-9C20H24N2O4
Methyl (1R,11S,12R,17S)-6-hydroxy-12-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate chemical structure, C20H24N2O4
Methyl (1R,11S,12R,17S)-6-hydroxy-12-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
C20H24N2O4
19(S)-Methoxytubotaiwine chemical structure, C21H26N2O3, CAS 949932-17-6
19(S)-Methoxytubotaiwine
CAS 949932-17-6C21H26N2O3
19(R)-Methoxytubotaiwine chemical structure, C21H26N2O3, CAS 949932-18-7
19(R)-Methoxytubotaiwine
CAS 949932-18-7C21H26N2O3
Scholaricine chemical structure, C20H24N2O4, CAS 99694-90-3
Scholaricine
CAS 99694-90-3C20H24N2O4
Methyl (1S,11R,12R,17R)-6-hydroxy-12-[(1R)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate chemical structure, C20H24N2O4
Methyl (1S,11R,12R,17R)-6-hydroxy-12-[(1R)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
C20H24N2O4
Methyl (1R,11S,12R,17S)-12-[(1S)-1-hydroxyethyl]-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate chemical structure, C21H26N2O4, CAS 90762-31-5
Methyl (1R,11S,12R,17S)-12-[(1S)-1-hydroxyethyl]-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
CAS 90762-31-5C21H26N2O4
Methyl (1R)-6-hydroxy-12-(1-hydroxyethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate chemical structure, C20H24N2O4
Methyl (1R)-6-hydroxy-12-(1-hydroxyethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
C20H24N2O4
Lagunamine chemical structure, C20H24N2O3, CAS 126721-42-4
Lagunamine
CAS 126721-42-4C20H24N2O3