Molecule card · MolClass #45791

24809364

24809364: 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: 24809364Mitochondrial Fusion · compound_name
MolClass ID: 45791
InChIKey: BIEGZKOQZDVENG-UHFFFAOYSA-N
Canonical SMILES: CC3(C)(C1CCC(C1)C3(C)(NC(=O)CNC2CCCCC2))
Standard InChI: InChI=1S/C18H32N2O/c1-17(2)13-9-10-14(11-13)18(17,3)20-16(21)12-19-15-7-5-4-6-8-15/h13-15,19H,4-12H2,1-3H3,(H,20,21)
Stored Murcko scaffold: [CH](NC1CC2CCC1C2)CNC3CCCCC3

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: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 41.13 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 292.46 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.657; 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 · 24809364