Molecule card · MolClass #49770
24783184
24783184: 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
- 24783184Mitochondrial Fusion · compound_name
- MolClass ID
- 49770
- InChIKey
- KHEBZSVGXATMGE-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccc(C(=O)C[n+]2cn(C(F)F)c1ccccc12)c(F)c3
- Standard InChI
- InChI=1S/C17H14F3N2O2/c1-24-11-6-7-12(13(18)8-11)16(23)9-21-10-22(17(19)20)15-5-3-2-4-14(15)21/h2-8,10,17H,9H2,1H3/q+1
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C[n+]2c[nH]c3ccccc32
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.384
- 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 · 24783184