Molecule card · MolClass #51169
17402753
17402753: 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
- 17402753Mitochondrial Fusion · compound_name
- MolClass ID
- 51169
- InChIKey
- BLFXIQOXFXUXCT-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)(F)c1ccc(cc1)CSc3nccn3(c2ccccc2)
- Standard InChI
- InChI=1S/C17H13F3N2S/c18-17(19,20)14-8-6-13(7-9-14)12-23-16-21-10-11-22(16)15-4-2-1-3-5-15/h1-11H,12H2
- Stored Murcko scaffold
- n1ccn(c1SCc2ccccc2)-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.
- RDR 01792#80590
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.954
- 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 · 17402753