Molecule card · MolClass #48768

24790395

24790395: 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: 24790395Mitochondrial Fusion · compound_name
MolClass ID: 48768
InChIKey: WGQBKEVSJMKIKM-UHFFFAOYSA-N
Canonical SMILES: CS(=O)(=O)N1CCC(CC1)Oc3ccccc3(C(=O)NC2CCOC2)
Standard InChI: InChI=1S/C17H24N2O5S/c1-25(21,22)19-9-6-14(7-10-19)24-16-5-3-2-4-15(16)17(20)18-13-8-11-23-12-13/h2-5,13-14H,6-12H2,1H3,(H,18,20)
Stored Murcko scaffold: O1CCC(N[CH]c2ccccc2OC3CCNCC3)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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 93.32 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 368.45 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.327; 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 · 24790395