Molecule card · MolClass #37245
24817424
24817424: 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
- 24817424Mitochondrial Fusion · compound_name
- MolClass ID
- 37245
- InChIKey
- SDAFHXWDHYZMQF-VOTSOKGWSA-N
- Canonical SMILES
- CSc2nsc(C=CNc1ccc(F)cc1)c2(C#N)
- Standard InChI
- InChI=1S/C13H10FN3S2/c1-18-13-11(8-15)12(19-17-13)6-7-16-10-4-2-9(14)3-5-10/h2-7,16H,1H3/b7-6+
- Stored Murcko scaffold
- n1sc(cc1)C=CNc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.92
- 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 · 24817424