Molecule card · MolClass #35580
7977692
7977692: 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
- 7977692Mitochondrial Fusion · compound_name
- MolClass ID
- 35580
- InChIKey
- BMUZILCLJSNCEM-UHFFFAOYSA-N
- Canonical SMILES
- CC2(C)(N(O)CC(c1cccs1)=[N+]2([O-]))
- Standard InChI
- InChI=1S/C9H12N2O2S/c1-9(2)10(12)6-7(11(9)13)8-4-3-5-14-8/h3-5,12H,6H2,1-2H3
- Stored Murcko scaffold
- s1cccc1C2=[NH+]CNC2
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.
- 24784777#26068
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 0
- 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
- 77.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 212.27 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.399
- 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 · 7977692