Molecule card · MolClass #46793
24799298
24799298: 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
- 24799298Mitochondrial Fusion · compound_name
- MolClass ID
- 46793
- InChIKey
- LNYGXLTWWGCWCJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC3CCCc2c3(cnn2(c1ccc(F)cc1(F))))c4cnccn4
- Standard InChI
- InChI=1S/C18H15F2N5O/c19-11-4-5-17(13(20)8-11)25-16-3-1-2-14(12(16)9-23-25)24-18(26)15-10-21-6-7-22-15/h4-10,14H,1-3H2,(H,24,26)
- Stored Murcko scaffold
- n1ccnc(c1)[CH]NC2c3cnn(-c4ccccc4)c3CCC2
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
- 5
- 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
- 72.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.091
- 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 · 24799298