Molecule card · MolClass #43583
3717320
3717320: 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
- 3717320Mitochondrial Fusion · compound_name
- MolClass ID
- 43583
- InChIKey
- RYDVBDXLEBPFRV-ZHACJKMWSA-N
- Canonical SMILES
- O=S(=O)(C=Cc1ccccc1)n3cnc2ccccc23
- Standard InChI
- InChI=1S/C15H12N2O2S/c18-20(19,11-10-13-6-2-1-3-7-13)17-12-16-14-8-4-5-9-15(14)17/h1-12H/b11-10+
- Stored Murcko scaffold
- n1cn(SC=Cc2ccccc2)c3ccccc13
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.27
- 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 · 3717320