Molecule card · MolClass #43432
24840259
24840259: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24840259Mitochondrial Fusion · compound_name
- MolClass ID
- 43432
- InChIKey
- FESZHHIGUGMBHK-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)C4NC(=NC2=C4(CCCC2=C3SCCS3))S
- Standard InChI
- InChI=1S/C17H18N2S3/c20-17-18-14(11-5-2-1-3-6-11)12-7-4-8-13(15(12)19-17)16-21-9-10-22-16/h1-3,5-6,14H,4,7-10H2,(H2,18,19,20)
- Stored Murcko scaffold
- N1=CNC(c2ccccc2)C3=C1C(=C4SCCS4)CCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.537 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.454
- 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 · 24840259