Molecule card · MolClass #52550
24831417
24831417: 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
- 24831417Mitochondrial Fusion · compound_name
- MolClass ID
- 52550
- InChIKey
- FPIKUQZNKFCULG-UHFFFAOYSA-N
- Canonical SMILES
- CCCN(Cc1ccccc1)C(Nc2ccc(cc2)SC(F)F)=S
- Standard InChI
- InChI=1S/C18H20F2N2S2/c1-2-12-22(13-14-6-4-3-5-7-14)18(23)21-15-8-10-16(11-9-15)24-17(19)20/h3-11,17H,2,12-13H2,1H3,(H,21,23)
- Stored Murcko scaffold
- [N]([CH]Nc1ccccc1)Cc2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.494 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.973
- 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 · 24831417