Molecule card · MolClass #41733
24831369
24831369: 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
- 24831369Mitochondrial Fusion · compound_name
- MolClass ID
- 41733
- InChIKey
- SWNAYIRJZYGZEZ-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])c1ccc(cc1)C[n+]4cc(c2ccccc2)n3CCCCCc34
- Standard InChI
- InChI=1S/C21H22N3O2/c25-24(26)19-12-10-17(11-13-19)15-22-16-20(18-7-3-1-4-8-18)23-14-6-2-5-9-21(22)23/h1,3-4,7-8,10-13,16H,2,5-6,9,14-15H2/q+1
- Stored Murcko scaffold
- c1ccc(cc1)-c2c[n+](c3n2CCCCC3)Cc4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.139
- 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 · 24831369