Molecule card · MolClass #37457
4262575
4262575: 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
- 4262575Mitochondrial Fusion · compound_name
- MolClass ID
- 37457
- InChIKey
- BXNQCLJYOVTQDD-UHFFFAOYSA-N
- Canonical SMILES
- O=C4Nc1ccccc1C24(OC3CCCCC3(O2))
- Standard InChI
- InChI=1S/C14H15NO3/c16-13-14(9-5-1-2-6-10(9)15-13)17-11-7-3-4-8-12(11)18-14/h1-2,5-6,11-12H,3-4,7-8H2,(H,15,16)
- Stored Murcko scaffold
- O1C2CCCCC2OC13[CH]Nc4ccccc43
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.274 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.435
- 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 · 4262575