Molecule card · MolClass #42662
857148
857148: 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
- 857148Mitochondrial Fusion · compound_name
- MolClass ID
- 42662
- InChIKey
- FYZLHMNCPBFJAV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(cs1)c2c(noc2C(F)(F)F)c3ccc(O)cc3(O)
- Standard InChI
- InChI=1S/C14H9F3N2O3S/c1-6-18-9(5-23-6)11-12(19-22-13(11)14(15,16)17)8-3-2-7(20)4-10(8)21/h2-5,20-21H,1H3
- Stored Murcko scaffold
- n1occ(-c2ncsc2)c1-c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.338
- 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 · 857148