Molecule card · MolClass #36451
24707840
24707840: 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
- 24707840Mitochondrial Fusion · compound_name
- MolClass ID
- 36451
- InChIKey
- XSLZDEWMQYHBQJ-UHFFFAOYSA-N
- Canonical SMILES
- COc3ncccc3(c1nnn(n1)c2ccc(F)cc2)
- Standard InChI
- InChI=1S/C13H10FN5O/c1-20-13-11(3-2-8-15-13)12-16-18-19(17-12)10-6-4-9(14)5-7-10/h2-8H,1H3
- Stored Murcko scaffold
- n1nn(nc1-c2cnccc2)-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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.25 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.396
- 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 · 24707840