Molecule card · MolClass #42314
859870
859870: 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
- 859870Mitochondrial Fusion · compound_name
- MolClass ID
- 42314
- InChIKey
- ZSUQMWFHCBLNAL-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1cccc2nsnc12)c3ccc(F)cc3
- Standard InChI
- InChI=1S/C13H8FN3OS/c14-9-6-4-8(5-7-9)13(18)15-10-2-1-3-11-12(10)17-19-16-11/h1-7H,(H,15,18)
- Stored Murcko scaffold
- n1snc2c1cccc2N[CH]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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.287 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.433
- 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 · 859870