Molecule card · MolClass #49913
22412746
22412746: 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
- 22412746Mitochondrial Fusion · compound_name
- MolClass ID
- 49913
- InChIKey
- FYXJNIGRTLZKGK-UHFFFAOYSA-N
- Canonical SMILES
- CSc1ccc(cc1)OC2CCN(CC2)Cc3ccccc3
- Standard InChI
- InChI=1S/C19H23NOS/c1-22-19-9-7-17(8-10-19)21-18-11-13-20(14-12-18)15-16-5-3-2-4-6-16/h2-10,18H,11-15H2,1H3
- Stored Murcko scaffold
- O(c1ccccc1)C2CCN(Cc3ccccc3)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.
- 22412867#34831
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.459 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.785
- 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 · 22412746