Molecule card · MolClass #49493
24796436
24796436: 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
- 24796436Mitochondrial Fusion · compound_name
- MolClass ID
- 49493
- InChIKey
- GKQJBAPRLPTZMV-UHFFFAOYSA-N
- Canonical SMILES
- OCCN(CC(O)COc1ccc(cc1)c2ccccc2)Cc3ccccc3
- Standard InChI
- InChI=1S/C24H27NO3/c26-16-15-25(17-20-7-3-1-4-8-20)18-23(27)19-28-24-13-11-22(12-14-24)21-9-5-2-6-10-21/h1-14,23,26-27H,15-19H2
- Stored Murcko scaffold
- O(c1ccc(cc1)-c2ccccc2)CCCNCc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.477 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.059
- 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 · 24796436