Molecule card · MolClass #45859
24815280
24815280: 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
- 24815280Mitochondrial Fusion · compound_name
- MolClass ID
- 45859
- InChIKey
- FLOKVRACNNBAGH-UHFFFAOYSA-N
- Canonical SMILES
- Oc1nc2cc3ccccc3(cc2(nc1C(F)(F)F))
- Standard InChI
- InChI=1S/C13H7F3N2O/c14-13(15,16)11-12(19)18-10-6-8-4-2-1-3-7(8)5-9(10)17-11/h1-6H,(H,18,19)
- Stored Murcko scaffold
- n1ccnc2cc3ccccc3cc12
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.
- 47199191#29899
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.203 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.564
- 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 · 24815280