Molecule card · MolClass #47687

24829938

24829938: 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: 24829938Mitochondrial Fusion · compound_name
MolClass ID: 47687
InChIKey: OWJNNMGFSZEVIL-UHFFFAOYSA-N
Canonical SMILES: CC(C)C4CCC(C)CC4(OC(=O)C[n+]3cc(c1ccc(cc1)Cl)n2CCCCCc23)
Standard InChI: InChI=1S/C26H36ClN2O2/c1-18(2)22-13-8-19(3)15-24(22)31-26(30)17-28-16-23(20-9-11-21(27)12-10-20)29-14-6-4-5-7-25(28)29/h9-12,16,18-19,22,24H,4-8,13-15,17H2,1-3H3/q+1
Stored Murcko scaffold: O([CH]C[n+]1cc(-c2ccccc2)n3c1CCCCC3)C4CCCCC4

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: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 35.11 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 444.03 g/mol; CDK 2.12 · 2026-08-19
XLogP: 8.572; 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 · 24829938