Molecule card · MolClass #47903

24789643

24789643: 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: 24789643Mitochondrial Fusion · compound_name
MolClass ID: 47903
InChIKey: SKEZCFORKUQAIY-UHFFFAOYSA-N
Canonical SMILES: O=C(CNS(=O)(=O)c1ccccc1)NNC(=O)C(Cl)Cl
Standard InChI: InChI=1S/C10H11Cl2N3O4S/c11-9(12)10(17)15-14-8(16)6-13-20(18,19)7-4-2-1-3-5-7/h1-5,9,13H,6H2,(H,14,16)(H,15,17)
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: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 112.75 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 340.184 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.572; 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 · 24789643