Molecule card · MolClass #38682

24824483

24824483: 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: 24824483Mitochondrial Fusion · compound_name
MolClass ID: 38682
InChIKey: FBTLHIHBOZOGFC-FOWTUZBSSA-N
Canonical SMILES: Cc1ccc(cc1)NN=C2CS(=O)(=O)N(C)c3ccsc23
Standard InChI: InChI=1S/C14H15N3O2S2/c1-10-3-5-11(6-4-10)15-16-12-9-21(18,19)17(2)13-7-8-20-14(12)13/h3-8,15H,9H2,1-2H3/b16-12+
Stored Murcko scaffold: N(Nc1ccccc1)=C2c3sccc3NSC2

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.

24819233#37908
24824422#38679

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 98.39 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 321.421 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.292; 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 · 24824483