Molecule card · MolClass #31628
14724943
14724943: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14724943Antifungal Pump Inhibitors · compound_name14724943Mitochondrial Fusion · compound_name
- MolClass ID
- 31628
- InChIKey
- FWGNGYUKPXJGQP-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C[n+]1ccccc1)c3nsnc3(c2)
- Standard InChI
- InChI=1S/C13H12N3S/c1-10-7-11(9-16-5-3-2-4-6-16)13-12(8-10)14-17-15-13/h2-8H,9H2,1H3/q+1
- Stored Murcko scaffold
- n1snc2c1cccc2C[n+]3ccccc3
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
- 2
- 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
- 57.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.564
- 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 · 14724943
Mitochondrial Fusion
Dataset #19 · 14724943