Molecule card · MolClass #42338
24809885
24809885: 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
- 24809885Mitochondrial Fusion · compound_name
- MolClass ID
- 42338
- InChIKey
- YQVLCLXOLYVNPT-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)c1cnn2c(ccnc12)c3ccc(F)cc3
- Standard InChI
- InChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)11-5-6-15-12-10(13(18)19)7-16-17(11)12/h1-7H,(H,18,19)
- Stored Murcko scaffold
- n1ccc(-c2ccccc2)n3nccc13
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.22 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.262
- 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 · 24809885