Molecule card · MolClass #43662

7974403

7974403: 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: 7974403Mitochondrial Fusion · compound_name
MolClass ID: 43662
InChIKey: KZDFESLFTLPERT-MDZDMXLPSA-N
Canonical SMILES: CCCCNC=C1C(=O)CC(C)(C)C(C(=O)OC)C1(=O)
Standard InChI: InChI=1S/C15H23NO4/c1-5-6-7-16-9-10-11(17)8-15(2,3)12(13(10)18)14(19)20-4/h9,12,16H,5-8H2,1-4H3/b10-9+
Stored Murcko scaffold: [CH]1[CH]CCC[CH]1

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.

1931252#15943
1931402#17420
24789408#30515
7974749#32016

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 72.47 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 281.348 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.597; 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 · 7974403