Molecule card · MolClass #49271
24814605
24814605: 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
- 24814605Mitochondrial Fusion · compound_name
- MolClass ID
- 49271
- InChIKey
- SPUYYCFQLHACCM-UHFFFAOYSA-O
- Canonical SMILES
- C[n+]3ccc(C=Cc1ccccc1(O))c2ccccc23
- Standard InChI
- InChI=1S/C18H15NO/c1-19-13-12-14(16-7-3-4-8-17(16)19)10-11-15-6-2-5-9-18(15)20/h2-13H,1H3/p+1
- Stored Murcko scaffold
- c1ccc(cc1)C=Cc2cc[nH+]c3ccccc23
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 24.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.326 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.783
- 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 · 24814605