Molecule card · MolClass #18060
3022649
3022649: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24809039Mitochondrial Fusion · compound_name
- MolClass ID
- 18060
- InChIKey
- IDJQEYJDKDAWDT-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C(=O)N2N=C1CCCCC1C2(O)C(F)(F)F
- Standard InChI
- InChI=1S/C12H17F3N2O2/c1-7(2)10(18)17-11(19,12(13,14)15)8-5-3-4-6-9(8)16-17/h7-8,19H,3-6H2,1-2H3
- Stored Murcko scaffold
- N=1[N]CC2C1CCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.271 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.892
- 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.
Auto-fluorescence Prediction
Dataset #13 · 3022649
Mitochondrial Fusion
Dataset #19 · 24809039