Molecule card · MolClass #35807
3715253
3715253: 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
- 3715253Mitochondrial Fusion · compound_name
- MolClass ID
- 35807
- InChIKey
- FCSPSCCCJCDMDJ-UHFFFAOYSA-N
- Canonical SMILES
- O=S2(=O)(N=C1CCCN1C(N2)c3ccc(F)cc3)
- Standard InChI
- InChI=1S/C11H12FN3O2S/c12-9-5-3-8(4-6-9)11-14-18(16,17)13-10-2-1-7-15(10)11/h3-6,11,14H,1-2,7H2
- Stored Murcko scaffold
- N=1SNC(c2ccccc2)N3C1CCC3
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
- 5
- 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
- 70.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.83
- 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 · 3715253