Molecule card · MolClass #42387
24810893
24810893: 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
- 24810893Mitochondrial Fusion · compound_name
- MolClass ID
- 42387
- InChIKey
- UMHDIRZIQPSSFM-UKTHLTGXSA-N
- Canonical SMILES
- Cc1ccccc1C3=NC(=Cc2cccs2)C(=O)O3
- Standard InChI
- InChI=1S/C15H11NO2S/c1-10-5-2-3-7-12(10)14-16-13(15(17)18-14)9-11-6-4-8-19-11/h2-9H,1H3/b13-9+
- Stored Murcko scaffold
- N=1C([CH]OC1c2ccccc2)=Cc3sccc3
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
- 3
- 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
- 66.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.277
- 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 · 24810893