Molecule card · MolClass #39631
4246273
4246273: 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
- 4246273Mitochondrial Fusion · compound_name
- MolClass ID
- 39631
- InChIKey
- RTLUUFHJNOXRIN-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)(F)c1ccc3c(c1)nc2CCCCn23
- Standard InChI
- InChI=1S/C12H11F3N2/c13-12(14,15)8-4-5-10-9(7-8)16-11-3-1-2-6-17(10)11/h4-5,7H,1-3,6H2
- Stored Murcko scaffold
- n1c2ccccc2n3c1CCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 17.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 240.225 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.142
- 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 · 4246273