Molecule card · MolClass #38884
22414803
22414803: 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
- 22414803Mitochondrial Fusion · compound_name
- MolClass ID
- 38884
- InChIKey
- QWPPFJOKFAZOGR-UHFFFAOYSA-N
- Canonical SMILES
- CCC2CCC=3C(=O)c1ccccc1N(C)C=3(O2)
- Standard InChI
- InChI=1S/C15H17NO2/c1-3-10-8-9-12-14(17)11-6-4-5-7-13(11)16(2)15(12)18-10/h4-7,10H,3,8-9H2,1-2H3
- Stored Murcko scaffold
- O1C=2Nc3ccccc3[CH]C2CCC1
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.
- 22414257#33587
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
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.477
- 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 · 22414803