Molecule card · MolClass #41106
844532
844532: 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
- 844532Mitochondrial Fusion · compound_name
- MolClass ID
- 41106
- InChIKey
- RQARPIRCBNZHBR-UHFFFAOYSA-N
- Canonical SMILES
- N#CCCCCN3c2cccc1cccc(c12)S3(=O)(=O)
- Standard InChI
- InChI=1S/C15H14N2O2S/c16-10-2-1-3-11-17-13-8-4-6-12-7-5-9-14(15(12)13)20(17,18)19/h4-9H,1-3,11H2
- Stored Murcko scaffold
- S1Nc2cccc3cccc1c32
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
- 69.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.351 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.009
- 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 · 844532