Molecule card · MolClass #49195
24819198
24819198: 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
- 24819198Mitochondrial Fusion · compound_name
- MolClass ID
- 49195
- InChIKey
- AEBHMQALVKZIOJ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)OC(=O)c1cccnc1N2CCN(CC2)c3cccc(c3)Cl
- Standard InChI
- InChI=1S/C19H22ClN3O2/c1-14(2)25-19(24)17-7-4-8-21-18(17)23-11-9-22(10-12-23)16-6-3-5-15(20)13-16/h3-8,13-14H,9-12H2,1-2H3
- Stored Murcko scaffold
- n1ccccc1N2CCN(c3ccccc3)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
- 5
- 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
- 45.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.851 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.199
- 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 · 24819198