Molecule card · MolClass #46132
24791119
24791119: 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
- 24791119Mitochondrial Fusion · compound_name
- MolClass ID
- 46132
- InChIKey
- IOZUMVUBRQQLIT-UHFFFAOYSA-N
- Canonical SMILES
- CCSC1=NCCN1S(=O)(=O)c2ccccc2
- Standard InChI
- InChI=1S/C11H14N2O2S2/c1-2-16-11-12-8-9-13(11)17(14,15)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
- Stored Murcko scaffold
- N1=CN(Sc2ccccc2)CC1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.574
- 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 · 24791119