Molecule card · MolClass #16559
1496567
1496567: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24809268Mitochondrial Fusion · compound_name
- MolClass ID
- 16559
- InChIKey
- LXRGOBYNKBYELR-UHFFFAOYSA-N
- Canonical SMILES
- C[N+]1(CCCCC1)CC2COC(O2)c3ccco3
- Standard InChI
- InChI=1S/C14H22NO3/c1-15(7-3-2-4-8-15)10-12-11-17-14(18-12)13-6-5-9-16-13/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3/q+1
- Stored Murcko scaffold
- o1cccc1C2OCC(O2)C[NH+]3CCCCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 31.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 252.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.156
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1496567
Mitochondrial Fusion
Dataset #19 · 24809268