Molecule card · MolClass #50133

22406172

22406172: 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: 22406172Mitochondrial Fusion · compound_name
MolClass ID: 50133
InChIKey: JWIYLNJUFVQJRS-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1S(=O)(=O)Nc2cccc(c2)Cl)NC(=O)c3cccs3
Standard InChI: InChI=1S/C18H15ClN2O3S2/c1-12-7-8-14(20-18(22)16-6-3-9-25-16)11-17(12)26(23,24)21-15-5-2-4-13(19)10-15/h2-11,21H,1H3,(H,20,22)
Stored Murcko scaffold: s1cccc1[CH]Nc2cccc(SNc3ccccc3)c2

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.

22410985#49958
22409548#50026

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: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 111.89 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 406.909 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.596; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 22406172