Molecule card · MolClass #41115
22413489
22413489: 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
- 22413489Mitochondrial Fusion · compound_name
- MolClass ID
- 41115
- InChIKey
- SXLGBZNCSAYTRL-UHFFFAOYSA-O
- Canonical SMILES
- COc1cccc(c1)C(=O)C[n+]2ccccc2(C=NO)
- Standard InChI
- InChI=1S/C15H14N2O3/c1-20-14-7-4-5-12(9-14)15(18)11-17-8-3-2-6-13(17)10-16-19/h2-10H,11H2,1H3/p+1
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C[n+]2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.292 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.534
- 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 · 22413489