Molecule card · MolClass #47748
14735270
14735270: 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
- 14735270Mitochondrial Fusion · compound_name
- MolClass ID
- 47748
- InChIKey
- OHIJOFZMPLWASO-UHFFFAOYSA-N
- Canonical SMILES
- CN3C(=O)C(Cc1ccccc1)=C(O)c2ccccc23
- Standard InChI
- InChI=1S/C17H15NO2/c1-18-15-10-6-5-9-13(15)16(19)14(17(18)20)11-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
- Stored Murcko scaffold
- n1cc(cc2ccccc12)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.014
- 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 · 14735270