Molecule card · MolClass #49878

22415499

22415499: 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: 22415499Mitochondrial Fusion · compound_name
MolClass ID: 49878
InChIKey: AGLADURCNYKALU-UHFFFAOYSA-N
Canonical SMILES: CCCCN(CCCC)C(NC(=O)c1ccccc1Cl)=S
Standard InChI: InChI=1S/C16H23ClN2OS/c1-3-5-11-19(12-6-4-2)16(21)18-15(20)13-9-7-8-10-14(13)17/h7-10H,3-6,11-12H2,1-2H3,(H,18,20,21)
Stored Murcko scaffold: c1ccccc1

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: 3; 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: 64.43 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 326.886 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.335; 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 · 22415499