Molecule card · MolClass #42289
17411515
17411515: 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
- 17411515Mitochondrial Fusion · compound_name
- MolClass ID
- 42289
- InChIKey
- DHNQMGHIZKQQOE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(C#N)c(ns1)S(=O)(=O)Cc2ccccc2Cl
- Standard InChI
- InChI=1S/C12H9ClN2O2S2/c1-8-10(6-14)12(15-18-8)19(16,17)7-9-4-2-3-5-11(9)13/h2-5H,7H2,1H3
- Stored Murcko scaffold
- n1sccc1SCc2ccccc2
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
- 4
- 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
- 107.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.798 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.035
- 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 · 17411515