Structure of molecule 51564

Molecule card · MolClass #51564

14736418

14736418: 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
14736418Mitochondrial Fusion · compound_name
MolClass ID
51564
InChIKey
SDZHBLLDERIZLY-UHFFFAOYSA-N
Canonical SMILES
O=[N+]([O-])c1ccc(cc1)c3csc2[n+]3(CCS2)
Standard InChI
InChI=1S/C11H9N2O2S2/c14-13(15)9-3-1-8(2-4-9)10-7-17-11-12(10)5-6-16-11/h1-4,7H,5-6H2/q+1
Stored Murcko scaffold
s1cc(-c2ccccc2)[n+]3c1SCC3

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
0
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
2
CDK 2.12 · 2026-08-19
Topological polar surface area
100.56 Ų
CDK 2.12 · 2026-08-19
Molecular weight
265.334 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.808
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 · 14736418