Molecule card · MolClass #50628
17506986
17506986: 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
- 17506986Mitochondrial Fusion · compound_name
- MolClass ID
- 50628
- InChIKey
- OZYJOQMLIVLHOG-UHFFFAOYSA-N
- Canonical SMILES
- O=C4c1ccccc1C5=Nc2ccccc2SC(c3cccc(F)c3)C45
- Standard InChI
- InChI=1S/C22H14FNOS/c23-14-7-5-6-13(12-14)22-19-20(15-8-1-2-9-16(15)21(19)25)24-17-10-3-4-11-18(17)26-22/h1-12,19,22H
- Stored Murcko scaffold
- N=1c2ccccc2SC(c3ccccc3)C4[CH]c5ccccc5C14
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.
- 17507053#50620
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 54.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.514
- 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 · 17506986