Molecule card · MolClass #37049
3712259
3712259: 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
- 3712259Mitochondrial Fusion · compound_name
- MolClass ID
- 37049
- InChIKey
- JXBBHIXFJLRNOB-UHFFFAOYSA-N
- Canonical SMILES
- Cn2cccc2(C(=O)NC(=O)CSc1cccc[n+]1([O-]))
- Standard InChI
- InChI=1S/C13H13N3O3S/c1-15-7-4-5-10(15)13(18)14-11(17)9-20-12-6-2-3-8-16(12)19/h2-8H,9H2,1H3,(H,14,17,18)
- Stored Murcko scaffold
- S(c1cccc[nH+]1)C[CH]N[CH]c2ccc[nH]2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.327 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.354
- 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 · 3712259