Molecule card · MolClass #48438
4265179
4265179: 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
- 4265179Mitochondrial Fusion · compound_name
- MolClass ID
- 48438
- InChIKey
- ZXXNDINPSCMZGO-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(nn2(CC(=O)N1CCCC1))C(F)(F)F
- Standard InChI
- InChI=1S/C11H14F3N3O/c1-8-6-9(11(12,13)14)15-17(8)7-10(18)16-4-2-3-5-16/h6H,2-5,7H2,1H3
- Stored Murcko scaffold
- n1cccn1C[CH]N2CCCC2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.244 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.533
- 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 · 4265179