Molecule card · MolClass #48558
14720832
14720832: 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
- 14720832Mitochondrial Fusion · compound_name
- MolClass ID
- 48558
- InChIKey
- WFIGJCTWOAHUNI-UHFFFAOYSA-N
- Canonical SMILES
- C=CCC(NCc1ccccc1)c2ccc(C)o2
- Standard InChI
- InChI=1S/C16H19NO/c1-3-7-15(16-11-10-13(2)18-16)17-12-14-8-5-4-6-9-14/h3-6,8-11,15,17H,1,7,12H2,2H3
- Stored Murcko scaffold
- o1cccc1CNCc2ccccc2
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.
- 14724021#40818
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 25.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 241.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.264
- 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 · 14720832