Molecule card · MolClass #37065

4257915

4257915: 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: 4257915Mitochondrial Fusion · compound_name
MolClass ID: 37065
InChIKey: BAMOLHXSXMKLAA-UHFFFAOYSA-N
Canonical SMILES: COC(=O)NCC1(C)(CC(CC(C)(C)C1)NC(=O)OC)
Standard InChI: InChI=1S/C14H26N2O4/c1-13(2)6-10(16-12(18)20-5)7-14(3,8-13)9-15-11(17)19-4/h10H,6-9H2,1-5H3,(H,15,17)(H,16,18)
Stored Murcko scaffold: C1CCCCC1

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: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 76.66 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 286.368 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.552; 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 · 4257915