Molecule card · MolClass #48562
22407266
22407266: 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
- 22407266Mitochondrial Fusion · compound_name
- MolClass ID
- 48562
- InChIKey
- OAFHIWZPHALJFN-UHFFFAOYSA-N
- Canonical SMILES
- CCCN2C(=O)c1c(cc(nc1N(CCC)C2(=O))c3cccs3)C(F)(F)F
- Standard InChI
- InChI=1S/C18H18F3N3O2S/c1-3-7-23-15-14(16(25)24(8-4-2)17(23)26)11(18(19,20)21)10-12(22-15)13-6-5-9-27-13/h5-6,9-10H,3-4,7-8H2,1-2H3
- Stored Murcko scaffold
- n1cnc2nc(ccc2c1)-c3sccc3
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
- 5
- 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
- 81.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 397.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.819
- 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 · 22407266