Molecule card · MolClass #49172

24819296

24819296: 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: 24819296Mitochondrial Fusion · compound_name
MolClass ID: 49172
InChIKey: HOYFEYGNUAXKAD-UHFFFAOYSA-N
Canonical SMILES: O=S(=O)(NCCNc1ncc(cc1Cl)C(F)(F)F)C(F)(F)F
Standard InChI: InChI=1S/C9H8ClF6N3O2S/c10-6-3-5(8(11,12)13)4-18-7(6)17-1-2-19-22(20,21)9(14,15)16/h3-4,19H,1-2H2,(H,17,18)
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: 5; 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: 79.47 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 371.689 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.901; 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 · 24819296