Molecule card · MolClass #38520

4249813

4249813: 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: 4249813Mitochondrial Fusion · compound_name
MolClass ID: 38520
InChIKey: ZSULKJWFWFQWJD-UHFFFAOYSA-N
Canonical SMILES: CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCN2CCCCC2(C)
Standard InChI: InChI=1S/C17H33N3O3S/c1-3-13-24(22,23)20-11-6-8-16(14-20)17(21)18-9-12-19-10-5-4-7-15(19)2/h15-16H,3-14H2,1-2H3,(H,18,21)
Stored Murcko scaffold: [CH](NCCN1CCCCC1)C2CNCCC2

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: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 78.1 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 359.529 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.256; 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 · 4249813