Molecule card · MolClass #49326
24834524
24834524: 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
- 24834524Mitochondrial Fusion · compound_name
- MolClass ID
- 49326
- InChIKey
- LEDZWWUAKQLVCK-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)(F)c1ccc(cc1)NC(NCc2ccccc2)=S
- Standard InChI
- InChI=1S/C15H13F3N2S/c16-15(17,18)12-6-8-13(9-7-12)20-14(21)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,20,21)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]NCc2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.339 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.326
- 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 · 24834524