Molecule card · MolClass #44576
22413327
22413327: 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
- 22413327Mitochondrial Fusion · compound_name
- MolClass ID
- 44576
- InChIKey
- FJXQXDFDOBGEKQ-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c2ccc1c(CC(C)C(=O)N1(C))c2
- Standard InChI
- InChI=1S/C13H15NO2/c1-8-6-11-7-10(9(2)15)4-5-12(11)14(3)13(8)16/h4-5,7-8H,6H2,1-3H3
- Stored Murcko scaffold
- [N]1[CH]CCc2ccccc12
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 217.264 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.264
- 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 · 22413327