Molecule card · MolClass #51075
17410421
17410421: 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
- 17410421Mitochondrial Fusion · compound_name
- MolClass ID
- 51075
- InChIKey
- ALSLDYJTFGXFLD-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)c1ncc(c(n1)c2ccc(cc2Cl)Cl)S(=O)(=O)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C18H14Cl3N3O2S/c1-24(2)18-22-10-16(27(25,26)13-6-3-11(19)4-7-13)17(23-18)14-8-5-12(20)9-15(14)21/h3-10H,1-2H3
- Stored Murcko scaffold
- n1cnc(c(Sc2ccccc2)c1)-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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 442.748 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.535
- 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 · 17410421