Molecule card · MolClass #43361
24798009
24798009: 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
- 24798009Mitochondrial Fusion · compound_name
- MolClass ID
- 43361
- InChIKey
- QYXJQOANPLTEQT-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c3cc(CN2CCN(CCc1ccccc1)C(CCO)C2)cs3
- Standard InChI
- InChI=1S/C21H28N2O2S/c1-17(25)21-13-19(16-26-21)14-22-10-11-23(20(15-22)8-12-24)9-7-18-5-3-2-4-6-18/h2-6,13,16,20,24H,7-12,14-15H2,1H3
- Stored Murcko scaffold
- s1ccc(c1)CN2CCN(CCc3ccccc3)CC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.526 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.864
- 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 · 24798009