Molecule card · MolClass #44513
14730405
14730405: 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
- 14730405Mitochondrial Fusion · compound_name
- MolClass ID
- 44513
- InChIKey
- HRGYUBXMOFMPQO-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cccnc3(NC2OC(=O)c1ccccc12)
- Standard InChI
- InChI=1S/C14H12N2O2/c1-9-5-4-8-15-12(9)16-13-10-6-2-3-7-11(10)14(17)18-13/h2-8,13H,1H3,(H,15,16)
- Stored Murcko scaffold
- n1ccccc1NC2O[CH]c3ccccc32
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
- 4
- 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
- 51.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 240.258 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.046
- 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 · 14730405