Molecule card · MolClass #50609
17507542
17507542: 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
- 17507542Mitochondrial Fusion · compound_name
- MolClass ID
- 50609
- InChIKey
- RGFADXWLNILIEQ-HZHRSRAPSA-N
- Canonical SMILES
- Cc1ccc(cc1)C=NNC(=O)COc3ccccc3(c2ccccc2)
- Standard InChI
- InChI=1S/C22H20N2O2/c1-17-11-13-18(14-12-17)15-23-24-22(25)16-26-21-10-6-5-9-20(21)19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,24,25)/b23-15+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N[CH]COc2ccccc2-c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.053
- 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 · 17507542