Molecule card · MolClass #48849

7976969

7976969: 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: 7976969Mitochondrial Fusion · compound_name
MolClass ID: 48849
InChIKey: JUQGVMKABKLRSY-UHFFFAOYSA-N
Canonical SMILES: CC(C)N(C(C)C)S(=NS(=O)(=O)c1ccccc1)N(C(C)C)C(C)C
Standard InChI: InChI=1S/C18H33N3O2S2/c1-14(2)20(15(3)4)24(21(16(5)6)17(7)8)19-25(22,23)18-12-10-9-11-13-18/h9-17H,1-8H3
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: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 80.57 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 387.606 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.737; 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 · 7976969