Molecule card · MolClass #43832

14730897

14730897: 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: 14730897Mitochondrial Fusion · compound_name
MolClass ID: 43832
InChIKey: VDLJNNDLAOOMLZ-UHFFFAOYSA-N
Canonical SMILES: CC(C)(O)C(=O)NN(c1ccc2ccccc2(c1))C(=O)c3ccccc3
Standard InChI: InChI=1S/C21H20N2O3/c1-21(2,26)20(25)22-23(19(24)16-9-4-3-5-10-16)18-13-12-15-8-6-7-11-17(15)14-18/h3-14,26H,1-2H3,(H,22,25)
Stored Murcko scaffold: [N]([CH]c1ccccc1)c2ccc3ccccc3c2

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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 69.64 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 348.396 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.63; 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 · 14730897