Molecule card · MolClass #40332

24816306

24816306: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 24816306Mitochondrial Fusion · compound_name
MolClass ID: 40332
InChIKey: WDLKBGBCSNCDRI-UHFFFAOYSA-N
Canonical SMILES: Cc2ccccc2(OS(=O)(=O)C1=CN(C)C(=O)N(C)C1(=O))
Standard InChI: InChI=1S/C13H14N2O5S/c1-9-6-4-5-7-10(9)20-21(18,19)11-8-14(2)13(17)15(3)12(11)16/h4-8H,1-3H3
Stored Murcko scaffold: n1cncc(SOc2ccccc2)c1

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.

24816393#41417
24816305#41418

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 92.37 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 310.327 g/mol; CDK 2.12 · 2026-08-19
XLogP: -0.282; 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 · 24816306