Molecule card · MolClass #46898

24790076

24790076: 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: 24790076Mitochondrial Fusion · compound_name
MolClass ID: 46898
InChIKey: PCHPUXDAARVCEN-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)CON2C(=O)C(=O)N(OCC(=O)OCC)C1CCCCC12
Standard InChI: InChI=1S/C16H24N2O8/c1-3-23-13(19)9-25-17-11-7-5-6-8-12(11)18(16(22)15(17)21)26-10-14(20)24-4-2/h11-12H,3-10H2,1-2H3
Stored Murcko scaffold: [N]1[CH][CH][N]C2CCCCC12

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.

17512868#26574
17414065#43812

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 111.68 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 372.371 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.332; 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 · 24790076