Molecule card · MolClass #49503

24797007

24797007: 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: 24797007Mitochondrial Fusion · compound_name
MolClass ID: 49503
InChIKey: HFZUKMAHKKINNX-UHFFFAOYSA-N
Canonical SMILES: COC(=O)c2cn(C(=O)c1ccc(C)cc1(C))c3ccccc23
Standard InChI: InChI=1S/C19H17NO3/c1-12-8-9-14(13(2)10-12)18(21)20-11-16(19(22)23-3)15-6-4-5-7-17(15)20/h4-11H,1-3H3
Stored Murcko scaffold: c1ccc(cc1)[CH]n2ccc3ccccc32

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 48.3 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 307.344 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.991; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24797007