Molecule card · MolClass #36227
7966144
7966144: 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
- 7966144Mitochondrial Fusion · compound_name
- MolClass ID
- 36227
- InChIKey
- BGXDUIOHIMCBER-LKTVYLICSA-N
- Canonical SMILES
- Fc2ccc3NC(c1ccco1)C4CCOC4(c3(c2))
- Standard InChI
- InChI=1S/C15H14FNO2/c16-9-3-4-12-11(8-9)15-10(5-7-19-15)14(17-12)13-2-1-6-18-13/h1-4,6,8,10,14-15,17H,5,7H2/t10-,14-,15-/m0/s1
- Stored Murcko scaffold
- o1cccc1C2Nc3ccccc3C4OCCC42
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.
- 24804164#26737
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.276 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.32
- 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 · 7966144