Molecule card · MolClass #36374

24831692

24831692: 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: 24831692Mitochondrial Fusion · compound_name
MolClass ID: 36374
InChIKey: XMOJNBQWHJMVFL-UHFFFAOYSA-N
Canonical SMILES: N#CCSC2=NN(c1ccc(F)cc1)C(=S)S2
Standard InChI: InChI=1S/C10H6FN3S3/c11-7-1-3-8(4-2-7)14-10(15)17-9(13-14)16-6-5-12/h1-4H,6H2
Stored Murcko scaffold: N1=CS[CH]N1c2ccccc2

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.

1921219#17211
24810965#28516
24835110#28831
24840299#33707
24826188#38278

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 122.08 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 283.372 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.189; 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 · 24831692