Molecule card · MolClass #45985
14729755
14729755: 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
- 14729755Mitochondrial Fusion · compound_name
- MolClass ID
- 45985
- InChIKey
- IJSRZRBTLZHKOY-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C=2COc3ccc(C)cc3(N=2)
- Standard InChI
- InChI=1S/C16H15NO2/c1-11-3-8-16-14(9-11)17-15(10-19-16)12-4-6-13(18-2)7-5-12/h3-9H,10H2,1-2H3
- Stored Murcko scaffold
- N=1c2ccccc2OCC1c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.296 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.286
- 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 · 14729755