Molecule card · MolClass #49468
24799621
24799621: 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
- 24799621Mitochondrial Fusion · compound_name
- MolClass ID
- 49468
- InChIKey
- VWDKYMHHRGVWMZ-UHFFFAOYSA-N
- Canonical SMILES
- OCC2(CCOc1ccccc1)(CCN(CC2)CC=3COc4ccc(cc4(C=3))Cl)
- Standard InChI
- InChI=1S/C24H28ClNO3/c25-21-6-7-23-20(15-21)14-19(17-29-23)16-26-11-8-24(18-27,9-12-26)10-13-28-22-4-2-1-3-5-22/h1-7,14-15,27H,8-13,16-18H2
- Stored Murcko scaffold
- O(c1ccccc1)CCC2CCN(CC3=Cc4ccccc4OC3)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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 413.938 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.311
- 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 · 24799621