Molecule card · MolClass #38834

14719383

14719383: 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: 14719383Mitochondrial Fusion · compound_name
MolClass ID: 38834
InChIKey: FXDLBWVSYYXICK-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)c1cc(c(O)nc1(C))C(=O)OCC
Standard InChI: InChI=1S/C12H15NO5/c1-4-17-11(15)8-6-9(12(16)18-5-2)10(14)13-7(8)3/h6H,4-5H2,1-3H3,(H,13,14)
Stored Murcko scaffold: n1ccccc1

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.

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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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 85.72 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 253.252 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.554; 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 · 14719383