Molecule card · MolClass #40879
24825088
24825088: 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
- 24825088Mitochondrial Fusion · compound_name
- MolClass ID
- 40879
- InChIKey
- FUSLRTWFVCSJJD-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CC(c1ccccc1(F))C=3C(=O)OCC=3(N2)
- Standard InChI
- InChI=1S/C13H10FNO3/c14-9-4-2-1-3-7(9)8-5-11(16)15-10-6-18-13(17)12(8)10/h1-4,8H,5-6H2,(H,15,16)
- Stored Murcko scaffold
- O1[CH]C2=C(N[CH]CC2c3ccccc3)C1
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.222 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.836
- 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 · 24825088