Structure of molecule 26166

Molecule card · MolClass #26166

24784174

24784174: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

2 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
24784174Antifungal Pump Inhibitors · compound_name
24784174Mitochondrial Fusion · compound_name
MolClass ID
26166
InChIKey
ZOMPFIONZZXXJJ-UHFFFAOYSA-N
Canonical SMILES
Cc2[n+](C)c1c3ccsc3(ccc1s2)
Standard InChI
InChI=1S/C11H10NS2/c1-7-12(2)11-8-5-6-13-9(8)3-4-10(11)14-7/h3-6H,1-2H3/q+1
Stored Murcko scaffold
s1ccc2c1ccc3sc[nH+]c32

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.

No other molecules currently have this stored scaffold.

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
0
CDK 2.12 · 2026-08-19
Topological polar surface area
60.36 Ų
CDK 2.12 · 2026-08-19
Molecular weight
220.336 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.689
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.

  • Antifungal Pump Inhibitors

    Dataset #18 · 24784174

  • Mitochondrial Fusion

    Dataset #19 · 24784174