Molecule card · MolClass #49103
24826940
24826940: 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
- 24826940Mitochondrial Fusion · compound_name
- MolClass ID
- 49103
- InChIKey
- YZTBTZNAEKVACW-UHFFFAOYSA-N
- Canonical SMILES
- C1CCN(CC1)C(c2ccc(o2)c3cccc(c3)Cl)=S
- Standard InChI
- InChI=1S/C16H16ClNOS/c17-13-6-4-5-12(11-13)14-7-8-15(19-14)16(20)18-9-2-1-3-10-18/h4-8,11H,1-3,9-10H2
- Stored Murcko scaffold
- o1c(ccc1-c2ccccc2)[CH]N3CCCCC3
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
- 1
- 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
- 48.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.824 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.762
- 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 · 24826940