Molecule card · MolClass #48835
24798328
24798328: 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
- 24798328Mitochondrial Fusion · compound_name
- MolClass ID
- 48835
- InChIKey
- WYUQZSUEEIRYBJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(C)n(CCN(C)Cc1cn(C)nc1c2ccccc2(F))n3
- Standard InChI
- InChI=1S/C19H24FN5/c1-14-11-15(2)25(21-14)10-9-23(3)12-16-13-24(4)22-19(16)17-7-5-6-8-18(17)20/h5-8,11,13H,9-10,12H2,1-4H3
- Stored Murcko scaffold
- n1cccn1CCNCc2c[nH]nc2-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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.426 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.126
- 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 · 24798328