Molecule card · MolClass #43971

24815294

24815294: 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: 24815294Mitochondrial Fusion · compound_name
MolClass ID: 43971
InChIKey: FKWZCBXJXZWHJE-UHFFFAOYSA-N
Canonical SMILES: CCCS(=O)(=O)NCCc1cc2c(C)ccc(C)c2(nc1(O))
Standard InChI: InChI=1S/C16H22N2O3S/c1-4-9-22(20,21)17-8-7-13-10-14-11(2)5-6-12(3)15(14)18-16(13)19/h5-6,10,17H,4,7-9H2,1-3H3,(H,18,19)
Stored Murcko scaffold: n1cccc2ccccc12

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: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 87.67 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 322.424 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.09; 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 · 24815294