Molecule card · MolClass #49678
24787563
24787563: 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
- 24787563Mitochondrial Fusion · compound_name
- MolClass ID
- 49678
- InChIKey
- LVZJHCULSIRZLW-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)Oc3ccccc3(OCCCOc2cccc1cccnc12)
- Standard InChI
- InChI=1S/C21H23NO3/c1-16(2)25-19-11-4-3-10-18(19)23-14-7-15-24-20-12-5-8-17-9-6-13-22-21(17)20/h3-6,8-13,16H,7,14-15H2,1-2H3
- Stored Murcko scaffold
- n1cccc2cccc(OCCCOc3ccccc3)c12
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.413 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.655
- 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 · 24787563