Molecule card · MolClass #45752
24802489
24802489: 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
- 24802489Mitochondrial Fusion · compound_name
- MolClass ID
- 45752
- InChIKey
- FLVYASFZHYHDKT-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc1nsnc1c2S(=O)(=O)N3CCCC3(C(=O)O)
- Standard InChI
- InChI=1S/C12H13N3O4S2/c1-7-4-5-8-10(14-20-13-8)11(7)21(18,19)15-6-2-3-9(15)12(16)17/h4-5,9H,2-3,6H2,1H3,(H,16,17)
- Stored Murcko scaffold
- n1snc2c1cccc2SN3CCCC3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 137.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.382 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.514
- 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 · 24802489