Molecule card · MolClass #51650
14734270
14734270: 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
- 14734270Mitochondrial Fusion · compound_name
- MolClass ID
- 51650
- InChIKey
- FLNOUSWYPHZPIM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccc(cc1)Oc3cccc2ccccc23)c4ccco4
- Standard InChI
- InChI=1S/C21H15NO3/c23-21(20-9-4-14-24-20)22-16-10-12-17(13-11-16)25-19-8-3-6-15-5-1-2-7-18(15)19/h1-14H,(H,22,23)
- Stored Murcko scaffold
- o1cccc1[CH]Nc2ccc(Oc3cccc4ccccc34)cc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.44
- 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 · 14734270