Molecule card · MolClass #41531
24820552
24820552: 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
- 24820552Mitochondrial Fusion · compound_name
- MolClass ID
- 41531
- InChIKey
- IJTIQDLFTYPZRU-UHFFFAOYSA-N
- Canonical SMILES
- OC=3C=CN(CCc1ccccn1)C(=O)C=3(Cc2ccc(F)cc2)
- Standard InChI
- InChI=1S/C19H17FN2O2/c20-15-6-4-14(5-7-15)13-17-18(23)9-12-22(19(17)24)11-8-16-3-1-2-10-21-16/h1-7,9-10,12,23H,8,11,13H2
- Stored Murcko scaffold
- n1ccccc1CCN2C=CC=C([CH]2)Cc3ccccc3
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
- 4
- 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
- 53.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.524
- 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 · 24820552