Molecule card · MolClass #42361
24821433
24821433: 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
- 24821433Mitochondrial Fusion · compound_name
- MolClass ID
- 42361
- InChIKey
- CPXPEESXZOQYCW-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(C)c1N3C(C)=NN(CC2CC2)C3(=O)
- Standard InChI
- InChI=1S/C15H19N3O/c1-10-5-4-6-11(2)14(10)18-12(3)16-17(15(18)19)9-13-7-8-13/h4-6,13H,7-9H2,1-3H3
- Stored Murcko scaffold
- N1=CN([CH]N1CC2CC2)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.861
- 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 · 24821433