Molecule card · MolClass #45226
17402854
17402854: 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
- 17402854Mitochondrial Fusion · compound_name
- MolClass ID
- 45226
- InChIKey
- SUUMKHOVGVYGOP-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)(F)c3nnc2c(nc1ccc(cc1n23)Cl)Sc4ccccc4
- Standard InChI
- InChI=1S/C16H8ClF3N4S/c17-9-6-7-11-12(8-9)24-13(22-23-15(24)16(18,19)20)14(21-11)25-10-4-2-1-3-5-10/h1-8H
- Stored Murcko scaffold
- n1nc2c(nc3ccccc3n2c1)Sc4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.776 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.808
- 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 · 17402854