Molecule card · MolClass #35782
7976922
7976922: 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
- 7976922Mitochondrial Fusion · compound_name
- MolClass ID
- 35782
- InChIKey
- DFTKAPQWXBEJOB-UHFFFAOYSA-N
- Canonical SMILES
- CN2CCCc1cc3c(nc12)OC(=O)C=C3C(F)(F)F
- Standard InChI
- InChI=1S/C13H11F3N2O2/c1-18-4-2-3-7-5-8-9(13(14,15)16)6-10(19)20-12(8)17-11(7)18/h5-6H,2-4H2,1H3
- Stored Murcko scaffold
- n1c2O[CH]C=Cc2cc3c1NCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.234 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.391
- 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 · 7976922