Molecule card · MolClass #39784
24824738
24824738: 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
- 24824738Mitochondrial Fusion · compound_name
- MolClass ID
- 39784
- InChIKey
- JQKDJOAQZMVOOE-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc1nnc(n1c3ccccc23)SCC(=O)N4CCOCC4
- Standard InChI
- InChI=1S/C17H18N4O2S/c1-12-10-15-18-19-17(21(15)14-5-3-2-4-13(12)14)24-11-16(22)20-6-8-23-9-7-20/h2-5,10H,6-9,11H2,1H3
- Stored Murcko scaffold
- n1nc2ccc3ccccc3n2c1SC[CH]N4CCOCC4
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.
- 22413808#38980
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.968
- 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 · 24824738