Molecule card · MolClass #52256
3715504
3715504: 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
- 3715504Mitochondrial Fusion · compound_name
- MolClass ID
- 52256
- InChIKey
- ORGNRSIXAIRUBX-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(Nc1cc(ccc1N2CCCCC2)Cl)c3cccs3
- Standard InChI
- InChI=1S/C15H17ClN2O2S2/c16-12-6-7-14(18-8-2-1-3-9-18)13(11-12)17-22(19,20)15-5-4-10-21-15/h4-7,10-11,17H,1-3,8-9H2
- Stored Murcko scaffold
- s1cccc1SNc2ccccc2N3CCCCC3
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
- 4
- 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
- 86.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.893 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.592
- 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 · 3715504