Molecule card · MolClass #50662
17506342
17506342: 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
- 17506342Mitochondrial Fusion · compound_name
- MolClass ID
- 50662
- InChIKey
- PXLXUVNKZXYMFD-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)OCC(=O)N3c4ccccc4(CCc2ccccc23)
- Standard InChI
- InChI=1S/C24H23NO2/c1-2-18-11-15-21(16-12-18)27-17-24(26)25-22-9-5-3-7-19(22)13-14-20-8-4-6-10-23(20)25/h3-12,15-16H,2,13-14,17H2,1H3
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]N2c3ccccc3CCc4ccccc42
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.446 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.186
- 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 · 17506342