Molecule card · MolClass #49078
24826301
24826301: 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
- 24826301Mitochondrial Fusion · compound_name
- MolClass ID
- 49078
- InChIKey
- FWOOAGGSUSFCIL-SAPNQHFASA-N
- Canonical SMILES
- c1ccc(nc1)NN=C3CCCc2ccccc23
- Standard InChI
- InChI=1S/C15H15N3/c1-2-8-13-12(6-1)7-5-9-14(13)17-18-15-10-3-4-11-16-15/h1-4,6,8,10-11H,5,7,9H2,(H,16,18)/b17-14+
- Stored Murcko scaffold
- n1ccccc1NN=C2c3ccccc3CCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 237.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.243
- 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 · 24826301