Molecule card · MolClass #48250
3716423
3716423: 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
- 3716423Mitochondrial Fusion · compound_name
- MolClass ID
- 48250
- InChIKey
- UJRISZMDRIFQMH-UHFFFAOYSA-N
- Canonical SMILES
- CNP1(NC)(=NC(=NC(=N1)C(F)(F)F)C(F)(F)F)
- Standard InChI
- InChI=1S/C6H8F6N5P/c1-13-18(14-2)16-3(5(7,8)9)15-4(17-18)6(10,11)12/h13-14H,1-2H3
- Stored Murcko scaffold
- n1pncnc1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.126 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.513
- 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 · 3716423