Molecule card · MolClass #42320

24819852

24819852: 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: 24819852Mitochondrial Fusion · compound_name
MolClass ID: 42320
InChIKey: UOFCUECTANRUMS-UHFFFAOYSA-N
Canonical SMILES: CONC=NC(Nc1ncc(cc1Cl)C(F)(F)F)=S
Standard InChI: InChI=1S/C9H8ClF3N4OS/c1-18-16-4-15-8(19)17-7-6(10)2-5(3-14-7)9(11,12)13/h2-4H,1H3,(H2,14,15,16,17,19)
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: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 90.63 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 312.701 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.383; 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 · 24819852