Molecule card · MolClass #36877
24707906
24707906: 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
- 24707906Mitochondrial Fusion · compound_name
- MolClass ID
- 36877
- InChIKey
- DESJWUHRAXZNMM-UHFFFAOYSA-N
- Canonical SMILES
- c1csc(n1)c2nnn(n2)c3ccc(c(c3)Cl)Cl
- Standard InChI
- InChI=1S/C10H5Cl2N5S/c11-7-2-1-6(5-8(7)12)17-15-9(14-16-17)10-13-3-4-18-10/h1-5H
- Stored Murcko scaffold
- n1nn(nc1-c2nccs2)-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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.153 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.293
- 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 · 24707906