Molecule card · MolClass #41045

14732885

14732885: 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: 14732885Mitochondrial Fusion · compound_name
MolClass ID: 41045
InChIKey: UPHZIKJOSJDQLD-UHFFFAOYSA-N
Canonical SMILES: CC(C)OC(=O)NCN2C(=O)C3C1C=CC(C1)C3(C2(=O))
Standard InChI: InChI=1S/C14H18N2O4/c1-7(2)20-14(19)15-6-16-12(17)10-8-3-4-9(5-8)11(10)13(16)18/h3-4,7-11H,5-6H2,1-2H3,(H,15,19)
Stored Murcko scaffold: [N]1[CH]C2C3C=CC(C3)C2[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.

24785522#28182
4251651#36770
858087#41698
4242645#42474

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 75.71 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 278.304 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.688; 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 · 14732885