Molecule card · MolClass #49193
24819169
24819169: 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
- 24819169Mitochondrial Fusion · compound_name
- MolClass ID
- 49193
- InChIKey
- ZPHNQFGKRLKKFA-ZRDIBKRKSA-N
- Canonical SMILES
- COc3ccc(C=CC(=O)N1CCN(CC1)c2ccccn2)c4ccccc34
- Standard InChI
- InChI=1S/C23H23N3O2/c1-28-21-11-9-18(19-6-2-3-7-20(19)21)10-12-23(27)26-16-14-25(15-17-26)22-8-4-5-13-24-22/h2-13H,14-17H2,1H3/b12-10+
- Stored Murcko scaffold
- n1ccccc1N2CCN([CH]C=Cc3cccc4ccccc43)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
- 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
- 373.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.429
- 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 · 24819169