Molecule card · MolClass #43682

4244205

4244205: 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: 4244205Mitochondrial Fusion · compound_name
MolClass ID: 43682
InChIKey: LKSKJDJCEOAJKJ-UHFFFAOYSA-N
Canonical SMILES: CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCCOC(C)C
Standard InChI: InChI=1S/C15H30N2O4S/c1-4-11-22(19,20)17-9-5-7-14(12-17)15(18)16-8-6-10-21-13(2)3/h13-14H,4-12H2,1-3H3,(H,16,18)
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: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 84.09 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 334.476 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.13; 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 · 4244205