Molecule card · MolClass #46005

17410902

17410902: 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: 17410902Mitochondrial Fusion · compound_name
MolClass ID: 46005
InChIKey: PGEPATXNFACSGZ-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)CS(=O)(=O)c1ccc(cn1)C(F)(F)F
Standard InChI: InChI=1S/C10H10F3NO4S/c1-2-18-9(15)6-19(16,17)8-4-3-7(5-14-8)10(11,12)13/h3-5H,2,6H2,1H3
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: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 81.71 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 297.252 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.166; 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 · 17410902