Molecule card · MolClass #49796
24781724
24781724: 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
- 24781724Mitochondrial Fusion · compound_name
- MolClass ID
- 49796
- InChIKey
- GWPFTRHLVYNPFY-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C2(CCOc1ccccc1)(CCN(CC2)Cc3ccc4nonc4(c3))
- Standard InChI
- InChI=1S/C23H27N3O4/c1-2-28-22(27)23(12-15-29-19-6-4-3-5-7-19)10-13-26(14-11-23)17-18-8-9-20-21(16-18)25-30-24-20/h3-9,16H,2,10-15,17H2,1H3
- Stored Murcko scaffold
- n1onc2cc(ccc12)CN3CCC(CCOc4ccccc4)CC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.479 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.946
- 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 · 24781724