Molecule card · MolClass #51588
14735443
14735443: 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
- 14735443Mitochondrial Fusion · compound_name
- MolClass ID
- 51588
- InChIKey
- XKCZWFRGKRRYNT-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)(F)c2cc(nc(NC1CCCC1)n2)c3ccccc3
- Standard InChI
- InChI=1S/C16H16F3N3/c17-16(18,19)14-10-13(11-6-2-1-3-7-11)21-15(22-14)20-12-8-4-5-9-12/h1-3,6-7,10,12H,4-5,8-9H2,(H,20,21,22)
- Stored Murcko scaffold
- n1ccc(nc1NC2CCCC2)-c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.405
- 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 · 14735443