Molecule card · MolClass #45566

24805837

24805837: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 24805837Mitochondrial Fusion · compound_name
MolClass ID: 45566
InChIKey: SZLKYLKGKTXXLR-HTXNQAPBSA-N
Canonical SMILES: CCCOc1ccc(cc1)C(=O)ON=C2CC(C)N(C)CC2(C)
Standard InChI: InChI=1S/C18H26N2O3/c1-5-10-22-16-8-6-15(7-9-16)18(21)23-19-17-11-14(3)20(4)12-13(17)2/h6-9,13-14H,5,10-12H2,1-4H3/b19-17+
Stored Murcko scaffold: N(O[CH]c1ccccc1)=C2CCNCC2

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

17411557#33076
17507609#39911
24802860#41191

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 51.13 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 318.411 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.362; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24805837