Molecule card · MolClass #51603
14735019
14735019: 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
- 14735019Mitochondrial Fusion · compound_name
- MolClass ID
- 51603
- InChIKey
- QUECMXURWBAOJZ-OUKQBFOZSA-N
- Canonical SMILES
- O=[N+]([O-])C=Cc2c(ccc1ccccc12)OCc3ccccc3
- Standard InChI
- InChI=1S/C19H15NO3/c21-20(22)13-12-18-17-9-5-4-8-16(17)10-11-19(18)23-14-15-6-2-1-3-7-15/h1-13H,14H2/b13-12+
- Stored Murcko scaffold
- O(c1ccc2ccccc2c1)Cc3ccccc3
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
- 0
- 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
- 52.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.328 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.078
- 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 · 14735019