Molecule card · MolClass #42943
14730095
14730095: 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
- 14730095Mitochondrial Fusion · compound_name
- MolClass ID
- 42943
- InChIKey
- WHJXDKRNZWWSSU-JMIUGGIZSA-N
- Canonical SMILES
- CC(=NOC(=O)N(C)C)c1ncc(cc1N2CCOCC2)C(F)(F)F
- Standard InChI
- InChI=1S/C15H19F3N4O3/c1-10(20-25-14(23)21(2)3)13-12(22-4-6-24-7-5-22)8-11(9-19-13)15(16,17)18/h8-9H,4-7H2,1-3H3/b20-10-
- Stored Murcko scaffold
- n1cccc(c1)N2CCOCC2
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.
- 14730096#33684
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.332 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.08
- 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 · 14730095