Molecule card · MolClass #49217

24817466

24817466: 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: 24817466Mitochondrial Fusion · compound_name
MolClass ID: 49217
InChIKey: ZYGDLTRTPNBGLN-UHFFFAOYSA-N
Canonical SMILES: CNC(=O)c1nnsc1S(=O)(=O)c2ccc(cc2)Cl
Standard InChI: InChI=1S/C10H8ClN3O3S2/c1-12-9(15)8-10(18-14-13-8)19(16,17)7-4-2-6(11)3-5-7/h2-5H,1H3,(H,12,15)
Stored Murcko scaffold: n1ncc(s1)Sc2ccccc2

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.

24822056#37199
24817121#40856
24818382#42036
17409473#46188

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: 4; CDK 2.12 · 2026-08-19
Topological polar surface area: 125.64 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 317.774 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.361; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24817466